chen4520minordesign

FRANZANAVIAN DESIGNS, INC.

Minor Design Project

Solvent Recovery Scheme

Curtis Edwards Mark Colbenson Michael Polmear

CHEN 4520: Chemical Process Synthesis Dr. Sani

12/10/2009

Figure 1. The future of solvent recovery in Leominster, MA (1).

Franzanavian Designs CHEN 4520 Minor Design Project December 7, 2009

Table of Contents Executive Summary ....................................................................................................................................... 6

Project Description and Scope ...................................................................................................................... 7

Background Information ............................................................................................................................... 9

Raw Materials ........................................................................................................................................... 9

Toluene ................................................................................................................................................. 9

Acetonitrile.......................................................................................................................................... 10

Siloxane ............................................................................................................................................... 10

Propane ............................................................................................................................................... 11

Water .................................................................................................................................................. 12

Unit Operations ....................................................................................................................................... 12

Rotating Disc Contactor Liquid-Liquid Extractor ................................................................................. 12

Distillation Columns ............................................................................................................................ 13

Flash Separator ................................................................................................................................... 14

Heat Exchangers .................................................................................................................................. 14

Centrifugal Pump ................................................................................................................................ 15

Closed Tank Propeller Agitator ........................................................................................................... 15

Diaphragm Valves ............................................................................................................................... 15

Rotary Centrifugal Compressor ........................................................................................................... 16

Process Use and Control ......................................................................................................................... 16

Alternatives to the Proposed Process ..................................................................................................... 16

Safety, Environmental, and Health Considerations .................................................................................... 18

Plant Safety ............................................................................................................................................. 18

Environmental Concerns ......................................................................................................................... 18

MSDS Summaries .................................................................................................................................... 20

Toluene (37) ........................................................................................................................................ 20

Acetonitrile (38) .................................................................................................................................. 21

Siloxane (40) (41) (42) ......................................................................................................................... 22


Propane (43) ....................................................................................................................................... 23

Water (44) ........................................................................................................................................... 24

Project Premises ......................................................................................................................................... 25

Design ...................................................................................................................................................... 25

Economics ............................................................................................................................................... 26

Venture Guidance Appraisal ............................................................................................................... 26

Variable Costs...................................................................................................................................... 27

Fixed Costs .......................................................................................................................................... 27

Cash Flow ............................................................................................................................................ 28

Approach ..................................................................................................................................................... 29

Process Flow Diagram with Material & Energy Balances ........................................................................... 31

Process Flow Diagrams ........................................................................................................................... 31

Material and Energy Balances ................................................................................................................. 33

Process Description & Equipment Specifications ....................................................................................... 38

Liquid-Liquid Extractor ........................................................................................................................ 39

Distillation Columns ............................................................................................................................ 42

Heat Exchangers .................................................................................................................................. 50

Pumps ................................................................................................................................................. 55

Compressors ....................................................................................................................................... 55

Mixers ................................................................................................................................................. 56

Valves .................................................................................................................................................. 57

Utility Summary .......................................................................................................................................... 58

Estimation of Capital Investment and Total Product Cost .......................................................................... 61

Capital Investment .................................................................................................................................. 61

Cost Indices ......................................................................................................................................... 62

Commodity Chemicals ........................................................................................................................ 62

Total Permanent Investment (TPI) ...................................................................................................... 63

Working Capital (WC) .......................................................................................................................... 71

Operating Cost ........................................................................................................................................ 71

Variable Cost ....................................................................................................................................... 71

Fixed Cost ............................................................................................................................................ 72

Profitability Analysis .................................................................................................................................... 76


Profitability.............................................................................................................................................. 76

Cost of Capital ..................................................................................................................................... 77

Net Present Value ............................................................................................................................... 77

Investor’s Rate of Return .................................................................................................................... 77

Return on Investment ......................................................................................................................... 77

Payback Period .................................................................................................................................... 78

Depreciation ........................................................................................................................................ 78

Salvage Percent ................................................................................................................................... 78

Accounts Receivable ........................................................................................................................... 78

Corporate Income Tax ......................................................................................................................... 79

Cash Flow Analysis and Comparison of Alternate Designs ................................................................. 79

Profitability of Other Cases ................................................................................................................. 82

Sensitivity Analysis .................................................................................................................................. 87

Present ROI and IRR for a +/- 25% Variation in TPI ............................................................................. 87

Present ROI and IRR for a +/- 25% Variation in Fixed Operating Cost ................................................ 87

Conclusion ................................................................................................................................................... 88

Bibliography ................................................................................................................................................ 90

Appendix A: Nomenclature ......................................................................................................................... 95

Acronyms ................................................................................................................................................ 95

Appendix B: Chemical Information ............................................................................................................. 96

Acetonitrile ............................................................................................................................................. 96

Toluene ................................................................................................................................................. 105

Water .................................................................................................................................................... 114

Propane ................................................................................................................................................. 121

Appendix C: Engineering Calculations....................................................................................................... 125

Design .................................................................................................................................................... 125

Costing .................................................................................................................................................. 136

Complete Distillation Process ........................................................................................................... 136

Flash Separation Process .................................................................................................................. 141

Appendix D: Computer Process Modeling ................................................................................................ 146

Aspen HYSYS ......................................................................................................................................... 146

Complete Distillation Process ........................................................................................................... 146


Flash Separation Process .................................................................................................................. 147

Aspen Plus ............................................................................................................................................. 148

Ternary Diagrams .............................................................................................................................. 148

Appendix E: Economic Spreadsheets ........................................................................................................ 152

Total Capital Investment ....................................................................................................................... 152

Complete Distillation Process ............................................................................................................... 153

Flash Separation Process ...................................................................................................................... 159


Executive Summary Solvent recovery represents an opportunity to cut ingredient costs, curtail environmental burdens, and enhance in-house processing potential. In the midst of a worldwide acetonitrile shortage, a more judicious approach to acetonitrile use and recovery stands to save millions of dollars a year for the waste stream generator at hand. The objective of this project is to design a process that recovers acetonitrile and toluene at high purity and separates the siloxane. The purity specifications were toluene at 99.92 wt%, acetonitrile at 99.87 wt%, and siloxane at <25 wt% to avoid deleterious precipitation. The intent of the recovered solvents is reuse in the original upstream process. Two alternative simulations of the process were created in Aspen HYSYS to ultimately compare the profitability of distillation versus flash separation within the toluene recovery section. Both designs were capable of producing the high purity solvent streams that exceeded specifications and allowed for changes in flow rates and in mass fraction compositions by ±10% of the feed streams. Heat integration of a propane refrigeration cycle reduced utility costs. Plant safety and environmental considerations were characterized and deemed achievable through diligent planning and adherence to local and federal laws.

The economics of the alternate processes were estimated for a 15-year plant lifetime with one design year and two years of construction. In the following summaries, economic parameters of the complete distillation process will be followed by those of the flash toluene separation process. The total permanent investment was $4,700k and $4,000k, respectively. In the absence of start-up materials, each process had a working capital of $470k. The minimum selling prices of the combined acetonitrile/toluene stream to achieve an investor’s rate of return of 10% was $1.66/kg and $1.58/kg, respectively. The returns on investments as determined by third year cash flows were 15% and 15.4%, respectively. The payback periods were 6.7 and 6.5 years, respectively. The net profits upon plant retirement were $7,401k and $6,467k, respectively. The two designs are economically comparable, and the final decision relies on the preference of the investors deciding whether they wish to sustain the greater capital cost of distillation or benefit from the long-term profitability of the plant. These are seemingly marginal returns; however, in the absence of this process the waste generator would incur an expense of over $23,000k at current rates over the next 18 years to properly dispose of the waste.

Several improvements to the process merit further consideration. Each of distillation columns contains a reboiler and condenser that could be integrated into a heat exchange network to reduce utility costs. Rather than a grass-roots approach, an integrated complex would reduce the cost of site development. As a proprietary commodity chemical, an additional process to purify siloxane rather than dispose of it as waste may prove economically viable.


Project Description and Scope Solvents are used extensively in the chemical and biotechnology industries, and can represent a

sizable portion of the cost of the raw materials of a chemical plant. Therefore, there is ample opportunity for the recoupment of revenue through the use of solvent recovery systems that purify and recycle the solvents found in process waste streams. For the adequate regeneration of usable solvents the recycled streams must meet stringent standards of purity and yield. In keeping with these requirements, the aim of this report is to describe the design of a grass-roots solvent recovery plant for the recovery of toluene and acetonitrile from three waste streams generated by the process of a company under contract with the startup plant. Each of the waste streams contains hexadecamethylcyclooctasiloxane, a high-molecular-weight cyclic silicone compound that must be removed from the solvent components.

In the past year the recovery of acetonitrile has become particularly important due to a worldwide shortage of the chemical, which began early in the fall of 2008 (2). As a result of the shortage, prices for the chemical have soared, making its recovery of paramount economic importance to many companies. The shortage stemmed from Chinese plant closures prior to the 2008 Summer Olympic Games to curtail public ridicule regarding pollution. Additionally, a major producer in the Texas Gulf Coast closed in the wake of Hurricane Ike. The crisis, however, is being exacerbated by the current economic recession, which has resulted in a decrease in consumer demand for automobiles, small appliances, computer housings, and carpeting. Each of these products contains acrylonitrile, the production of which generates acetonitrile as a byproduct by the Sohio process. With the dipping economy, the demand for the acrylonitrile-containing plastics in these consumer goods has decreased, which in turn has decreased the production of acetonitrile. This crisis has become a stumbling block for the economic viability of many chemical companies, making the recovery of acetonitrile a key step in coping with the currently exorbitant prices.

Acetonitrile and toluene are both commonly used solvents in the industrial chemical arena, and various compounds of siloxanes are utilized for a wide variety of applications due to their unique chemical properties. Toluene is regularly used as a solvent for oils, resins, natural and synthetic rubbers, coal, tar, asphalt, pitch, and acetyl celluloses (3). Acetonitrile is used in industrial extraction processes, cosmetic products, and widely as a solvent in the pharmaceutical and biotechnology industries (4). Siloxane is used in a variety of both medical and industrial applications largely for its chemical inertness and surface modifying properties (5). Indeed, it is the polymeric and chemically inert nature of siloxanes that make them ideal for acting as hydrophobic corrosion-inhibiting coatings in chemical processes (6). Interestingly enough, the tie-in between these three compounds lies with the processing of a unique set of molecules called fullerenes.

Fullerenes are carbon polymers that exhibit regular geometric three-dimensional structures. Both Buckminsterfullerene balls (buckyballs) and carbon nanotubes are examples of fullerenes, which are mainstays of the nanotechnology industry. Acetonitrile and toluene as a mixed solvent system are often used in the processing and purification of fullerenes by high pressure liquid chromatography (HPLC) (7). However, fullerenes present numeroius handling hazards (8). The effective use of fullerenes


requires protection from oxygen, which can be accomplished via conjugation to siloxane complexes that modify the fullerene surface properties allowing for attachment to silica matrices (9). These immobilized fullerenes are ideal for fixation to the silica stationary phase of chromatography columns, and these have been shown to exhibit high selectivity for separation. They can also be applied to fullerene-based photovoltaic systems and coatings (8). Due to the fact that the waste streams to be purified contain acetonitrile, toluene, and siloxane, it is presumable that the company under contract with the proposed grass-roots solvent purification company works with siloxane, making use of its surface-altering properties for use in coatings, photovoltaics, or HPLC.

As previously mentioned, the premise of this report is the description of the design of a grass-roots plant to separate acetonitrile and toluene from three waste streams containing the two solvents and siloxane. The specifications of the incoming streams are given in Table 1.

Table 1. Flow rate and composition of process inlet streams for solvent recovery

Composition (wt %)

Stream Flow Rate (kg/hr)

Temperature (°C)

Pressure (atm)

Toluene Acetonitrile Siloxane

A 270 20 1 98.5

1.5

B 60 20 1 96.5 2.0 1.5

C 200 20 1 19.5 78.5 2.0

The recovered toluene stream is required by the contracted company to be purified to greater than 99.92 percentage by weight (wt%), and the acetonitrile recovery stream must exceed 99.87 wt% purity. Additionally, each stream must be produced at 20 °C and 1 atm of pressure. Table 2 shows the properties of siloxane (10).

Table 2. Physical properties of siloxane

Siloxane

Property Value Property Value

Molecular Weight 593.25 Da Critical Temperature 416.05 °C

Density at 25 °C 1177 kg/m3 as

solid Critical Pressure 691 kPa

Normal Boiling Point 303.2 °C Critical Volume 1.856

m3/kmol Melting Point 31.5 °C Acentric Factor 0.869

Heat of Fusion 63200 kJ/kmol

Siloxane precipitates at moderate concentrations, so it is necessary that siloxane be kept to below 25 wt% in solvent in each stream containing it in order to avoid this deleterious phenomenon.


The final requirements for the recovery process are that that purity and conditional specifactions for the recovery streams must be able to be met for ± 10% variations in the flow rates of the streams and ± 5 wt% variations in the major toluene and acetonitrile fractions in the streams (10).

A solvent recovery system to meet the specifications of the company under contract with the start-up plant was designed with the assistance of Aspen HYSYS (11) modeling software. First in the process, liquid-liquid extraction was employed to yield toluene- and acetonitrile-rich streams based on their differential solubility in water. Two cases were investgated for toluene spearation, one using distialltion and the other using flash separation. A full economic analysis was performed for each of these potential scenarios. This included the determination of the variance guidance appraisal, which consists of the total capital investment (TCI) and working capital, and the operating cost, consisting of the fixed operating cost and the entire variable cost of the plant including the utilities. These parameters were then used to determine the cash flow of the start-up plant over an 18 year period. Sensitivity analyses were perfomed on the capital cost and fixed operating cost at ± 25%.

Background Information The physical properties given in the design prompt correlate with those of

hexadecamethylcyclooctasiloxane, hereafter referred to as ‘siloxane’ (12). Two processes were investigated. Both processes use distillation columns for pressure-swing distillation in the acetonitrile. However, whereas the final process used distillation to recover the toluene, hereafter referred to as ‘complete distillation process’, the other process used a flash separator in the same capacity, hereafter referred to as ‘toluene flash separation process’.

Raw Materials The solvent extraction process described in this report involves five raw materials contained in

Table 3.

Table 3.Raw materials with characterization.

Acetonitrile Toluene Siloxane Water Propane

Solvent Solvent Impurity Extraction fluid Heating steam Cooling liquid

Vaporizing cooling fluid

It is important to understand the general structures and properties of each of these chemicals in order to determine how they function within the process.

Toluene Toluene consists of a methyl substituted aromatic ring as shown by the structure in Figure 2 .


Figure 2. Chemical structure of toluene, C7H8 (13)

Toluene is a naturally occurring compound in crude oil and is a component of many petroleum products (13). It is commonly used as a solvent for plastics, adhesives, polymers, and gasoline additives and as an additive to increase the octane of gasoline (13) (14). It is a non-polar compound that is liquid at room temperature, which makes it ideal for liquid-liquid extraction as it readily forms the hydrophobic phase over the acetonitrile hydrophilic phase (15). The boiling point of toluene is 111 °C in comparison to that of siloxane at 303.2 °C, which makes for an easy separation of the two compounds by either distillation or flash separation methods.

Acetonitrile Acetonitrile is a nitrile substituted alkane, the structure of which is shown in Figure 3.

Figure 3. Chemical structure of acetonitrile, C2H3N (16)

Due to its minimal chemical reactivity, low acidity, low boiling point, and low viscosity, acetonitrile is used as a solvent in a variety of processes and purification techniques in the pharmaceutical and biotechnology industries including HPLC and hydrophilic interaction liquid chromatography (HILIC) (2). It is also used commonly in extraction processes (4). Acetonitrile is highly miscible in water, making it ideal for the hydrophilic phase of the extraction process, below the hydrophobic, toluene-rich phase (17). Although an azeotrope exists between acetonitrile and water, the 18.4 °C difference between boiling points allows for their satisfactory separation by distillation using a pressure swing system.

Siloxane Siloxane is a cyclic silicone-contain compound composed of repeated units of di-methylated

silicone groups attached to an oxygen molecule as shown in Figures 4 and 5.


Figure 4. Two-dimensional chemical structure of siloxane, C16H48O8Si8 (18)

Figure 5. Three-dimensional chemical structure of siloxane, C16H48O8Si8 (18)

Siloxane polymers, due to chemical inertness, stablility, and pliability are used in a number of medical applications including prostheses, artificial organs, facial reconstruction, and catheters. In addition, the ability to modify surfaces and interfaces lends to applications as electrical insulators, water repllents, anti-foaming agents, adhesives, and protective coatings. Siloxane has a large polar surface area, though this is shielded by sixteen methyl groups (18). It therefore partitions between the hydrophilic and hydrophobic phases in liquid-liquid extraction. It’s boiling point of 303.2 °C is significantly higher than that of water, toluene, and acetonitrile, so it is readily separated by distillation from these compounds (10).

Propane Propane is a three carbon alkane as shown by Figure 6.

Figure 6. Chemical structure of propane, C3H8 (19)


Propane is a highly flammable compound that is gaseous at room temperature. It has a high heat of vaporization, which allows for its effective use as a vaporizing coolant (20).

Water Water is a highly polar inorganic compound, the structure of which is shown in Figure 7.

Figure 7. Chemical structure of water, H2O (21)

Water is used as the hydrophilic phase in liquid-liquid extraction, and due to its high latent heat of vaporization and specific heat as a condensing heating fluid and liquid coolant.

Unit Operations Prior to the description of the design of the solvent recovery process it is necessary to describe the individual unit operations that will be involved. Each of these is discussed below.

Rotating Disc Contactor Liquid-Liquid Extractor Liquid-liquid extraction involves the contacting of two liquid streams with the aim of separating

the components based on partitioning into hydrophilic and hydrophobic liquid phases. For effective partitioning to take place the contacting interfacial area between the two input liquids must be maximized such that mass transfer can take place between liquid phases. This requires agitation-induced mixing, which is provided by a column of rotating discs and stators in a rotating-disc contactor (RDC) as shown in Figure 8.


Figure 8. Schematic of a rotating-disc contactor liquid-liquid extraction column (22).

RDCs have a maximum diameter of 25 ft, a maximum liquid throughput of 120 ft3 of liquid/hr-ft2 of column cross-sectional area, and a typical height of a theoretical stage (HETP) of 2 to 4 ft depending on the column diameter and interfacial tension (23). It is prudent to operate an RDC at 60% of the maximum throughput value.

Distillation Columns Distillation columns separate components of one or more feed streams by boiling points via mass transfer between liquid and vapor phases. In multistage distillation columns the mass transfer between liquid and vapor phases by which the separation is accomplished is facilitated by the trays, where the two phases are brought into contact by vapor bubbling up through the liquid. The vapor distillate product of the column is most often passed through a total condenser (though for low boiling components and cases where a vapor product is desired a partial condenser or no condenser may be used), and a portion of the liquid is returned to the column as reflux (23). A partial reboiler is usually used to vaporize a portion of the liquid bottoms product and return it back to the column as vapor. The columns in the proposed grass-roots plant each utilize a total condenser and sieve trays, which are perforated trays through which the vapor can bubble amid the falling liquid.

Multistage towers can operate anywhere in the two-phase region, though the critical point of the components being separated should be avoided as distinct phases are necessary for the separation of compounds by their relative volatilities. Typical operating pressures of distillation columns are between 1 and 415 psia.

Azeotropes occur when the composition of the liquid and vapor phases of a mixture of components are equal. Azeotropes act as barriers to distillation since at an azeotrope there is no fugacity difference between the liquid and vapor and thus no driving force for mass transfer. However,


the composition of an azeotrope changes with pressure, and this fact can be used to purify a mixture of components beyond the azeotropic composition at one pressure by utilizing two distillations at different pressures. Shifting the azeotrope in this manner in order to achieve higher distillate and bottoms purities than are reachable by distillation at either of the two pressures alone is called pressure-swing distillation.

Flash Separator Flash separation involves the partial vaporization of a feed stream upon entering a flash chamber or drum where the pressure is decreased and the temperature is often increased. Feed enters the drum through a throttling valve or nozzle, and because of the large drop in pressure and increase in temperature the more volatile component(s) quickly vaporize (24). The vapor is then drawn off the top of the drum, and the liquid is drained out of the bottom. Because of the close contact between vapor and liquid, flash separators can closely approximate an equilibrium stage (24).

Heat Exchangers The heat exchangers and most of the distillation column condensers and reboilers in the process

were modeled as double-pipe heat exchangers, which consist of two concentric pipes across which heat transfer occurs. The process fluid flows through the inner of the two pipes, while the heat transfer fluid flows through the annular region between the two pipes (23). When larger areas are required for heat exchange a hairpin configuration is used, in which return bends and heads are employed to minimize the overall size of the unit. A hairpin double-pipe heat exchanger is shown in Figure 9.

Figure 9. A hairpin double-pipe heat exchanger (25)

One of the condensers in the process was modeled as a shell-and-tube heat exchanger, in which the process fluid flows through a number of tubes inside of a shell, through which flows the heat exchange fluid. The design of shell-and-tube heat exchangers is standardized by the Tubular Exchanger Manufacturers Association (TEMA), which has been the case for almost 70 years. An example of a shell-and-tube heat exchanger is shown in Figure 10:


Figure 10. A shell-and-tube heat exchanger (26)

Centrifugal Pump Centrifugal pumps are composed of impellers mounted on a rotating shaft and enclosed in a

stationary casing (23). An electric motor drives the shaft, causing the impeller blades to rotate. The rotation of the blades reduces pressure so the liquid can enter from the center of the apparatus. The liquid is forced outwards along the blades acquiring a velocity head due to the power input of the motor, which is then converted to a pressure head as the liquid moves into the annular volute chamber and its velocity is decreased. From here the liquid is discharged at a higher pressure than the inlet stream. Figure 11 shows a centrifugal pump.

Figure 11. Schematic of a centrifugal liquid pump (27)

Closed Tank Propeller Agitator Closed tank propeller agitators consist of an enclosed tank in which multiple entering process

streams are mixed together by propellers. Propellers are small in diameter and are often mounted sideways around the periphery of the tank to mix liquids by rapid rates of rotation (23).

Diaphragm Valves Diaphragm valves use a rubber, plastic, or elastomer diaphragm to constrict and shutoff flow

through a pipe. Screwing the valve depresses the diaphragm, which can press against either a raised weir or the bottom of the valve for seating (28). A diaphragm valve in which the diaphragm sits on the bottom of the valve is shown in Figure 12.


Figure 12. Diaphragm valve (29)

Rotary Centrifugal Compressor Centrifugal compressors are widely used in industry; they produce a continuous flow of gas,

they are relatively small compared to other designs, and they are free of vibration (23). Similar to centrifugal pumps, the feed enters at the eye of the impeller and is compressed by the centrifugal force of rotating impellers; however, due to the complexity of their design, a schematic has been omitted. In comparison to liquid pumps, a large amount of power input is required to compress gasses due to large molar volume. Centrifugal compressors are much larger than centrifugal pumps, though they can be well-insulated such that heat losses are negligible in comparison to power requirements.

Process Use and Control The purpose of the process designed for the grass-roots startup plant is the recovery of the

solvents toluene and acetonitrile from three streams produced by a company under contract with the startup. As these streams were previously disposed of as wastes, the aim of the process is to purify and recycle the solvents back to the company to save revenue on solvent costs and the cost of waste treatment and disposal. The separation processes required to achieve the desired recovery of solvents will be controlled by DeltaV process management technologies, an automated control system made by Emerson Process Management to digitally integrate the control and safety of the plant (30). DeltaV technology continuously monitors sensors, logic solvers, and final control elements to safeguard the performance of the plant and to perform diagnoses on any faults in the process (30). Emerson’s Smart Safety Instrumented Systems (SIS) continuously oversees the safety of the process, and even has the capability to shut down the plant if necessity dictates (30). This control system will provide for a smoothly running and safe process that will ensure the continued operation of the newly-designed solvent recovery plant.

Alternatives to the Proposed Process The alternative to the designed solvent recovery plant is the disposal of the solvent-rich,

siloxane-containing waste streams generated by the company under contract with the grass-roots plant.


With skyrocketing costs due to the worldwide acetonitrile shortage coupled with the cost of treatment at $0.15 per pound of organic removed, it behooves the waste generator to consider solvent recovery (2). It is therefore prudent and economically sound to pursue the recovery of solvents according to the design scheme of the startup plant.

Additional research into the solvent recovery industry led these authors to investigate the business plan underpinning Veolia Environmental Services. For example, Veolia’s Chemical Lifecycle Management aims to reduce costs, potential mishandling, delivery delays, and liability by contracting with chemical waste generators. The graphic representation of this business model is illustrated in Figure 13.

Figure 13. Veolia's streamlined chemical and waste supply chain flow (31).

This figure demonstrates the reduction of required handoffs and company players. Primarily, Veolia transports, stores, and recycles or disposes of the waste. Therefore, companies like Veolia represent an alternative process or a competitor for this design.

Assuming that the solvent recovery process will indeed be utilized there are two alternative processes. These involve either the use of a flash separation unit or a distillation column to purify the toluene product subsequent to its extraction from acetonitrile. Each of the two methods yield comparable amounts of recovered toluene product that meet the purity specification of the company for which the recovery is being done; however, the costs associated with the two schemes slightly differ. The implementation of a distillation column requires a larger capital investment, though this alone cannot be used to decide between the two processes since the distillation column would utilize steam and cooling water utilities while the flash separator would utilize electrical heating utilities, the costs of which differ. Both avenues of this alternative were fully pursued, and the relative economics of each is discussed in the Profitability Analysis Section.


Safety, Environmental, and Health Considerations Of primary concern for the operation of the grass-roots startup plant are safety of the plant

operators and surrounding community. Secondly, it is crucial that environmental impact of plant operation be minimized by careful adherence to federal laws and diligence on behalf of the management to set a culture of sustainability. This ought to be a deliverable task seeing as the purpose is to save money on solvent costs and reduce out-flowing waste. These tenets of effective plant operation can be upheld through adherence to proper plant safety protocols, consideration of the appropriate way to dispose of waste streams, and use of the correct procedures to handle, store, and deal with accidents relating to chemicals, as outlined in their respective Material Safety Data Sheets (MSDS). The required procedures for compliance with each of these practices are discussed below. Additionally, the safety and environmental soundness of the plant should be ensured by obtaining all of the required state and federal permits to operate a solvent recovery plant (32).

Plant Safety The plant should meet all federal, state, and local safety regulations and should operate according to current good manufacturing practices (cGMP) standards. These are a set of regulations defined by the Food and Drug Administration (FDA) that relate to proper plant operation designed to ensure the safe and quality manufacturing of chemicals and pharmaceuticals (33). All operators and personnel coming into direct contact with process components, chemicals, and any of the unit operations should exercise appropriate care. These best practices are safe operation of the plant, proper personal protective equipment when handling chemicals as defined by the MSDS of the pertinent chemicals (described below) as well as any protective apparel such as hardhats required by cGMP standards to be necessary for working with any of the unit operations of the process. All workers should also be given in-depth safety training including accident and evacuation procedures, information on the chemical, pressure, and temperature hazards of the process, and any training pertinent to the process machinery with which they will be working. The plant should be outfitted with safety equipment in compliance with cGMP regulations including but not limited to fire extinguishers, pressure relief valves, eye-wash stations, emergency showers, and hazardous chemical sensors. A detached storage facility should be constructed for all chemicals, with attention being paid to their specific storage and handling requirements as outlined in their MSDSs. In adhering strictly to the cGMP procedures pertinent to the solvent recovery plant, the safe operation of the plant can best be achieved.

Environmental Concerns The primary environmental concerns for the plant are accidental releases of chemicals into the

environment, and the toxicity and bioaccumulation in the biosphere that can ensue. Bioaccumulation is the uptake and resulting concentration of environmental chemical species by biological systems (34). Generally this term applies to substances dissolved in water or contained within soils, sediments, food, or water that is taken in by living organisms by diffusion or ingestion, and it is particularly applicable to species of fish. In the case of environmental pollutants the chemicals that bioaccumulate are xenobiotic substances – chemicals that are not normally present in organisms or biological systems, or are usually present in much lower concentrations. These pollutants can oftentimes move upwards through food


chains from the initial organisms that took them in, as they or their wastes are consumed by organisms further up in the food chain. This results in higher concentrations of xenobiotics in various species than would be the case from simple bioaccumulation, and is deemed biomagnification. When the xenobiotic substances are hazardous chemicals and wastes released into the environment by chemical plants, these two processes combined can potentially adversely affect whole ecosystems. Therefore, an understanding of the bioaccumulation and biomagnification effects of the chemicals used in a plant’s operation is paramount for environmentally sound operation. A useful parameter relating to these effects is that of the octanol-water partition coefficient.This coefficient, Kow, is defined according to Equation 1 (35).

Equation 1.Octanol-water partitioning coefficient

𝐾𝐾𝑜𝑜𝑜𝑜 =𝑥𝑥𝑜𝑜𝑜𝑜𝑜𝑜𝑥𝑥𝑜𝑜

The octanol-water coefficient is measured as the ratio of the mole fractions with which a given solute, x, partitions into the octanol (xoct) and water (xw) phases of these two immiscible liquids, and is used as a measure of how a given chemical will partition between the hydrophobic fatty tissues of many organisms (often fish) and the hydrophilic environment of lakes, streams, and other bodies of water into which the chemical has been released (35). The higher Kow is for a given chemical species, the more it will be absorbed into the tissues of fish and other organisms resulting in bioaccumulation and biomagnification. Though this is an oversimplification of the dynamic effects of the partition coefficients that chemicals have on the biosphere, the general trend is used to roughly determine the effect that various chemicals have on environments (36).

The propensity of the chemicals in the process to bioaccumulate in environments can be related to their respective partition coefficients. Toluene has a low Kow, which would predict minimal bioaccumulation according to the simplified correlation mentioned previously described. Indeed, according to the MSDS, toluene is not expected to significantly bioaccumulate (37). However it does still have the potential to pollute environments as it is expected to leach into groundwater and biodegrade (37).

Acetonitrile has a low value for a parameter called the bioconcentration factor (BCF) which, for animal species correlates to the respective Kow value, indicating that acetonitrile also is not expected to bioaccumulate significantly (34). And again the MSDS for acetonitrile indicates that indeed the chemical is not expected to bioaccumulate significantly (38). Though like toluene, acetonitrile is expected to leach into groundwater and biodegrade upon its release into the environment.

Polydimethylsiloxanes (PDMS), of which the siloxane in the process is one, actually have a high value for Kow, which would indicate a tendency to partition into the tissues of organisms; however their high molecular weights often result in their incorporation into suspended solids which settle to the bottom of bodies of water without being taken in by organisms (36). Therefore PDMS are not expected to significantly bioaccumulate either.


Despite the encouraging fact that toluene, acetonitrile and siloxane do not bioaccumulate to a significant extent upon their accidental release into the environment, each of these chemicals is nevertheless a hazardous chemical that has the potential to poison ecological systems. Taking this fact into consideration, it is pertinent to treat waste streams by a Resource Conservation and Recovery Act (RCRA) certified treatment plant. RCRA is the federal law defined by the Environmental Protection Agency (EPA) that designates the regulations pertinent to the disposal of hazardous wastes (39). In addition, proper waste disposal is necessary to comply with the Clean Water Act of 1977, a federal ordinance outlining considerations relating to the maintenance of clean water in the environment.

MSDS Summaries Summaries of the MSDS for each of the chemicals in the process are given below. While this

information provides many of the key relevant safety issues involved with working with these chemicals, it DOES NOT substitute for the actual MSDSs. These should be reviewed and kept in an accessible location at the plant.

Toluene (37) Toluene is a hazardous chemical with the following National Fire Protection Association (NFPA) ratings:

• Health – 2 Moderate (Life)

• Flammability – 3 Severe (Flammable)

• Reactivity – 0

• Special Hazards – None

The MSDS recommends the use of goggles and a shield, a lab coat and apron, a vent hood, proper gloves, and class B fire extinguishers. Toluene is harmful if swallowed, inhaled, or absorbed through the skin, and can affect the liver, kidneys, circulatory system, and central nervous system. It causes irritation to the skin, eyes, and respiratory tract.

In the case of harmful contact with toluene medical attention should be sought immediately. If inhaled, the affected person should be removed to fresh air. If they are not breathing give artificial respiration and if breathing is difficult then 100% oxygen should be provided. If swallowed DO NOT INDUCE VOMITING, rather give large quantities of water. Never give anything by mouth to an unconscious person. If vomiting occurs, keep the person’s head below their hips to prevent aspiration into the lungs. In case of skin contact, immediately flush skin with plenty of soap and water for at least 15 minutes. Contaminated clothing and shoes should be removed, and washed before reuse. If eye contact occurs, flush the eyes with plenty of water for at least 15 minutes while occasionally lifting upper and lower eyelids.

Containers of toluene should be protected from physical damage and stored in a cool, dry, well-ventilated place, away from fire hazards, with outside or detached storage being preferable. Toluene storage containers should be separated from incompatible chemicals and bonded and grounded for transfers to avoid static sparks. Non-sparking type tools and equipment should be used when handling


toluene containers, including explosion-proof ventilation, and storage areas should be no smoking areas. Containers of toluene may be hazardous when empty, as product residues may be retained, and they should therefore be properly disposed of as hazardous waste.

In case of an accidental release of toluene ventilate the area of the leak or spill and remove all sources of ignition. Wear appropriate personal protective equipment (PPE) as described above. Isolate the hazard area. When possible, contain and recover liquid using non-sparking tools and equipment, but keep unnecessary and unprotected personnel from entering the hazard area. Liquid can be collected in an appropriate container or absorbed with an inert material such as vermiculite, dry sand, or earth. Place absorbed toluene in a chemical waste container. Do not use any combustible materials such as saw dust to absorb the spill. Do not flush to the sewer. If the leak or spill has ignited, use water spray to disperse the vapors, protect any personnel, and flush spills away from potential hazards. US Regulations (CERCLA) require the reporting of releases to soil, water, and air in excess of reportable quantities.

Acetonitrile (38) Acetonitrile is a hazardous chemical with the following NFPA ratings:

• Health – 2 Moderate

• Flammability – 3 Severe (Flammable)

• Reactivity – 0


The MSDS recommends the use of goggles and a shield, a lab coat and apron, a vent hood, proper gloves, and class B fire extinguishers. Acetonitrile is harmful if swallowed, inhaled, or absorbed through the skin, and can affect the liver, kidneys, cardiovascular system, and central nervous system. It may cause irritation to the skin, eyes, and respiratory tract.

In the case of harmful contact with acetonitrile medical attention should be sought immediately. Serious toxicity is preceded by vomiting, in most cases due to oral ingestion. Although amyl nitrite inhalants are used in pre-hospital management of cyanide poisoning, they have not been shown to be beneficial for use in acetonitrile poisoning. If inhaled, the affected person should be removed to fresh air. If breathing is labored or accompanied by coughing, give 100% supplemental oxygen. If not breathing, give artificial respiration, though DO NOT GIVE MOUTH-TO-MOUTH RESUSCITATION. If swallowed do not induce vomiting. If not breathing, give artificial respiration, though DO NOT GIVE MOUTH-TO-MOUTH RESUSCITATION. Never give anything by mouth to an unconscious person. In case of skin contact, immediately flush skin with plenty water for at least 15 minutes. Contaminated clothing and shoes should be removed, and washed before reuse. Contaminated shoes should be thoroughly cleaned before reuse. If eye contact occurs, flush the eyes with plenty of water for at least 15 minutes while occasionally lifting upper and lower eyelids.

Containers of acetonitrile should be protected from physical damage and stored in a cool, dry, well-ventilated place, away from acute fire hazards, with outside or detached storage being preferable.


Acetonitrile storage containers should be separated from incompatible chemicals and bonded and grounded for transfers to avoid static sparks. Non-sparking type tools and equipment should be used when handling acetonitrile containers, including explosion-proof ventilation, and storage areas should be no smoking areas. Containers of acetonitrile may be hazardous when empty, as product residues may be retained, and they should therefore be properly disposed of as hazardous waste. Do not attempt to clean empty storage containers as the residue is difficult to remove. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose acetonitrile containers to heat, sparks, flame, static electricity, or other sources of ignition as they may explode and cause injury or death.

In case of an accidental release of acetonitrile ventilate the area of the leak or spill and remove all sources of ignition. Wear appropriate PPE as described above. Isolate the hazard area. When possible, contain and recover liquid using non-sparking tools and equipment, but keep unnecessary and unprotected personnel from entering the hazard area. Liquid can be collected in an appropriate container or absorbed with an inert material such as vermiculite, dry sand, or earth. Place absorbed acetonitrile in a chemical waste container. Do not use any combustible materials such as saw dust to absorb the spill. Do not flush to the sewer. If the leak or spill has ignited, use water spray to disperse the vapors, protect any personnel, and flush spills away from potential hazards. Spills can be reacted in an alkaline hypochlorite solution to produce cyanate, and then neutralized. US Regulations (CERCLA) require the reporting of releases to soil, water, and air in excess of reportable quantities.

Siloxane (40) (41) (42)

Material Safety Data Sheets were unavailable for the particular siloxane compound used in the process (hexadecamethylcyclooctasiloxane), but these would be obtained from the manufacturer prior to the implementation of the plant. However, based on health and safety data for hexamethylcyclotrisiloxane (MW 222.47 g/mol), octamethylcyclotetrasiloxane (MW 296.6 g/mol), and the MSDS for hexamethyldisiloxane (MW 162.38 g/mol) probable safety information was compiled. These compounds were selected because they are all siloxanes, one is cyclic like the actual siloxane used in the process, and the same one has a molecular weight more similar to the actual siloxane (MW 593.25 g/mol) than the other two. Using these three compounds as guides, the likely NFPA ratings for siloxane are mostly likely in the ranges of:

• Health –2 (Moderate)

• Flammability – 2-3 Moderate to Severe (Flammable)

• Reactivity –0-2 (None-Moderate)

• Special Hazards – Unknown

In the process siloxane is present concurrently with either toluene or acetonitrile, and as these are both hazardous chemicals their mixture with siloxane will be treated as such. However, the safety information below is NOT BASED ON THE ACTUAL COMPOUND and therefore MUST BE REPLACED with information from the actual MSDS upon receipt from the manufacturer. Siloxane is most likely harmful if swallowed, or inhaled with potentially lethal effects, and is an irritant to the skin and eyes. Type B fire extinguishers should be kept on hand at all times.


In the case of harmful contact with siloxane medical attention should be sought immediately. If inhaled, the affected person should be removed to fresh air. If breathing is labored or accompanied by coughing, give 100% supplemental oxygen. If not breathing, give artificial respiration. If swallowed do not induce vomiting. If not breathing, give artificial respiration. Never give anything by mouth to an unconscious person. In case of skin contact, immediately flush skin with plenty water for at least 15 minutes. Contaminated clothing and shoes should be removed, and washed before reuse. Contaminated shoes should be thoroughly cleaned before reuse. If eye contact occurs, flush the eyes with plenty of water for at least 15 minutes while occasionally lifting upper and lower eyelids.

Containers of siloxane should be protected from physical damage and stored in a cool, dry, well-ventilated place, away from acute fire hazards, with outside or detached storage being preferable. Siloxane storage containers should be separated from incompatible chemicals and bonded and grounded for transfers to avoid static sparks. Non-sparking type tools and equipment should be used when handling siloxane containers, including explosion-proof ventilation, and storage areas should be no smoking areas. Containers of siloxane may be hazardous when empty, as product residues may be retained, and they should therefore be properly disposed of as hazardous waste. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose siloxane containers to heat, sparks, flame, static electricity, or other sources of ignition as they may explode and cause injury or death.

In case of an accidental release of siloxane ventilate the area of the leak or spill and remove all sources of ignition. Wear appropriate PPE, which in this case may consist of splash goggles, a full suit, boots, gloves, and a self-contained breathing apparatus. Isolate the hazard area. When possible, contain and recover liquid using non-sparking tools and equipment, but keep unnecessary and unprotected personnel from entering the hazard area. Liquid can be collected in an appropriate container or absorbed with an inert material such as vermiculite, dry sand, or earth. Place absorbed siloxane in a chemical waste container. Do not use any combustible materials such as saw dust to absorb the spill. Do not flush to the sewer. If the leak or spill has ignited, use water spray to disperse the vapors, protect any personnel, and flush spills away from potential hazards. US Regulations (CERCLA) require the reporting of releases to soil, water, and air in excess of reportable quantities.

Propane (43) Propane is a highly flammable compound with the following NFPA ratings:

• Health – 1 (Slight)

• Flammability – 4 Severe (Highly Flammable)

• Reactivity –0


Propane is highly flammable and can for explosive mixtures with air. Upon depressurization it may freeze tissue, causing frostbite. Inhalation can cause asphyxiation. To be noted is the fact that before suffocation could occur, the lower flammability limit of propane would be exceeded, resulting in both an oxygen-deficient and explosive atmosphere. Exposure to concentrations greater than 10% can cause dizziness, while exposure to atmospheres containing less than 10% oxygen can bring about sudden


unconsciousness that may result in injury or death. Unodorized propane can be recognized by a slightly sweet odor, and oderized propane will have a strong unpleasant odor.

In the case of harmful contact with propane medical attention should be sought immediately. Persons suffering from a lack of oxygen due to adverse contact with propane should be moved to fresh air. If not breathing, give artificial respiration. If breathing is labored, give 100% supplemental oxygen. If freezing contact with skin or eyes occurs, flush with lukewarm water not to exceed 105 °F.

If a propane-induced fire occurs, a variety of extinguishing media can be used, including CO2, dry chemical, water spray, or fog; however, do not extinguish until the propane source is shut off. Evacuate all personnel from the danger area. Immediately cool container with water spray from a maximum distance, taking care not to extinguish the flames. If the flames are extinguished explosive re-ignition may occur. Stop the flow of propane if possible without undue risk, and continue cooling container with water spray. Propane is heavier than air, and may accumulate in low areas or travel along the ground where an ignition source may be present. Pressure in containers may build up due to heat, and containers can rupture if pressure relief devices fail to function.

Specific requirements for the storage of propane are listed in NFPA 48. Cylinders should be stored in a cool, dry, well-ventilated place away from combustibles, with outside or detached storage being preferable; though containers should never reach a temperature exceeding 125 °F. There should be no sources of ignition in the storage area. Cylinders of propane should be separated from oxygen cylinders or other oxidizers by at least 20 ft. or by a barrier of non-combustible material at least 5 ft. high and having a fire resistance rating of at least a half hour. Full and empty cylinders of propane should be separated, and a first-in, first-out inventory system should be observed to prevent full containers from being stored for long periods of time. Cylinders should be stored upright with valve protection cap in place and firmly secured, and they should be prevented from falling or being knocked over. Protect cylinders from physical damage by never dragging, rolling, or dropping them. Return empty cylinders to supplier. Residual propane can be burned at a controlled rate if a suitable unit such as a flare stack is available on site. This must be done in accordance with federal, state, and local regulations. Post “No Smoking or Open Flames” signs in storage areas. All electrical equipment in storage areas should be explosion proof, and storage areas must meet national electric codes for class 1 hazardous areas.

In the case of an accidental release of propane evacuate the area immediately. Eliminate possible sources of ignition, and provide maximum explosion-proof ventilation to vent the gas. If possible, shut off the source of the propane. If the release was due to a leaking cylinder or valve, contact the supplier. Never enter a confined space where the concentration of propane is greater than 10% of the lower flammability limit, which is 0.22%.

Water (44) Water is a safe compound with the following NFTA ratings:

• Health – 0


• Flammability – 0

• Reactivity –0


The MSDS suggest the use of goggles and a lab coat when working with or handling water. Water is non-hazardous.

It is advised to store water in a tightly closed container in any storage area. Protect from freezing. Water is considered a non-regulated product, but may react with vigorously with some chemicals, therefore do not store near any incompatible chemicals.

Project Premises The process was developed using the following assumptions and specifications with regard to

design and economics.

Design • The plant is a new “grass-roots” plant

• The purchase of land is not required

• The plant is to be constructed in Leominster, Massachusetts

• Plant is operated 85% of the year for 7,446 operating hours

• An upstream process produces the Streams A, B, and C

• No royalties

• Siloxane was modeled as hexadecamethylcyclooctasiloxane based on physical properties but

data were not obtained for activity coefficients with acetonitrile, toluene, and water. Aspen

HYSYS assumed these values to be zero.

• Toluene is purified to at least 99.92 wt%

• Acetonitrile is purified to at least 99.87 wt%

• Siloxane in solvent is purified to no more than 25 wt%


Economics

Venture Guidance Appraisal

• Site factor for US Northeast is 1.10

• Miscellaneous equipment costs are 10% of total engineering equipment/purchased and

delivered

• Field maintenance, labor, and insulation are 5, 10, and 10%, respectively, of purchased

equipment and delivered

• Equipment foundations, supports, and platforms are 10% of field maintenance, labor, and

insulation costs

• Factored piping, instruments, and electrical were 22, 9, and 7%, respectively, of installed

equipment

• The labor material split was 40 and 60%, respectively, of direct installed cost

• Freight, quality insurance, and sales taxes were 12% of material

• Contractor labor distributives were 44% of labor

• Additional indirect costs were 15% of direct installed cost plus indirect freight, quality insurance,

taxes, and overhead

• Buildings and structures were 20% of direct equipment costs

• Power, general, and services were 2% direct equipment costs plus building and structures

• Dismantling and rearranging were 2% direct equipment costs plus building and structures

• Site development was 15% direct equipment costs plus building and structures

• Contingency was 35% of direct permanent investment

• Working conditions were 3% of labor

• Inflation was 2.625% for every year


• Start-up spare parts were 10% of total permanent investment

Variable Costs

• Mid-pressure steam (150 psig) costs $0.0048 per kg

• Low-pressure steam (50 psig) costs $0.003 per kg

• Process water costs $0.00075 per US gallon

• Cooling water costs $0.020 per m3

• Electricity costs $0.06 per kW-hr

• Wastewater treatment is $0.15/lb organic removed

Fixed Costs

• Number of operators is 25

• Annual wages are $72,800 at $35 per operator-hr

• Five shifts

• Employee benefits are 15% of wages

• Operating supervision is 17% of wages at annual wage 0f $60,000 per operator per shift

• Operating supplies are 6% of wages

• Maintenance is 3.5% of total permanent investment

• Maintenance labor is 25% of total maintenance

• Maintenance material is 100% of total maintenance

• General overhead is 22.8% of operators’ wages plus maintenance labor plus operator

supervision

• Lab and technical support is 6.91% of total permanent investment at $65,000 per operator per

shift


• Sales and administration is 2% of total permanent investment

• Research and development is 5% of total permanent investment

• Insurance and local taxes are 3% of total permanent investment

Cash Flow

• Toluene costs $2.00 per US gallon

• Acetonitrile costs $21.50 per US gallon

• Five years MACR depreciation

• Interest of capital is 15%

• Salvage percent is zero

• Accounts receivable are 30 days

• Corporate income tax is 34%

• Investor’s rate of return base value is 10%

• Plant capacity is 50% in the first year, 70% in the second year, and 85% in the following years

• The lifetime of the plant is 15 years

• The design period is one year and the construction period is two years

• Propane costs $1.17 per US gallon


Approach

The economic analyses presented herein compare two viable processes in an effort to let the bottom line and environmental awareness dictate the final process. The method of toluene recovery was the primary difference between the two designs. Whereas the final design used a distillation column to separate the toluene and siloxane waste, the secondary design used a flash separation unit for the same purpose. In this way, all pertinent analyses except a Visio® diagram are presented for both designs to corroborate the final decision to use distillation throughout the process.

In order to perform an efficient separation, liquid-liquid extraction (LLE) was used as the first step in the separation train design. Use of a LLE allows for the process to start with two streams which are approach purity specifications in one of the two desired product streams. The LLE extractor was chosen because of an observed solubility envelope on the ternary diagram and water was chosen as the solvent of choice for the clear solubility of acetonitrile and insolubility of toluene. The toluene recovery is achieved relatively easily with either a distillation column or a flash drum. The luxury of choice was not encountered in the acetonitrile recovery process due to the azeotrope between water and acetonitrile. Therefore, a pressure swing distillation system was used for the purpose of working around the azeotrope. In order to decide how to operate the pressure swing distillation system, a T-x-y diagram was generated at a variety of pressures ranging from 1 to 10 atm. From analysis of the T-x-y diagram, it was decided that the first column may have a pressure of 1 atm and the latter pressure of 10 atm. The T-x-y diagram utilized for making this decision can be seen below in Figure 14.


Figure 14. T-x-y diagram for acetonitrile – water pressure swing distillation

After the fundamental design ideas were solidified, the process was placed in Aspen HYSYS for simulation. The most difficult part of the entire design process was making the simulation environment converge. By performing a mass balance around the top distillation column, the appropriate flow rates of the distillate and bottom were calculated in order to satisfy the project component specifications. This was plausible because the LLE was adjusted until the only component in the top liquid phase was toluene with trace siloxane. In order to make the top toluene separation column converge, the estimated bottoms flow rate and estimated reflux ratio were used. By adjusting the reflux ratio, number of trays, and the bottom flow, a pattern emerged, and the top unit converged resulting in an unimaginably pure toluene product stream.

Utilizing the determined pressure values for each of the columns, the columns were converged by making different specifications appropriate to each column. The first column was converged by specifying a reflux ratio and a boilup ratio. Each of which was altered, monitoring their effects until the column converged at a reflux ratio of 3.30 and boilup ratio 5.36. The second column was converged by specifying the reflux ratio and the temperature of the azeotrope at 10 atm. The second column converged with a reflux ratio of 0.5 and a top shelf temperature of 158oC. The recycle stream within the acetonitrile recovery section was the last step in completing the dream of having a fully converged PFD. The order of operations was paramount in achieving convergence. First, convergence was realized without the recycle stream. Upon integration with the recycle stream, the entire acetonitrile recovery


section was unconverged. This section regained convergence and specifications by repeating the aforementioned adjustments on the pressure-re-swing distillation columns.

After the PFD was fully converged, a heat integration method was investigated to achieve more cost-effective variable costs. First, a heat exchange network was investigated; however, it was negated due to the phase change of propane in the system, which happens to be the driving force for the efficient heat exchange. Upon further research, a propane refrigeration cycle including a compressor, condenser, and a valve was discovered within the supplemental website companion of the course textbook (23). The refrigeration cycle can be seen in Figure 15.

Figure 15. Example propane refrigeration cycle (23)

Process Flow Diagram with Material & Energy Balances

Process Flow Diagrams Process flow diagrams are linear representations of the process. Both processes were modeled in Aspen HYSYS V7.0 (11). Figure 16 is the Visio diagram and Figures 17 and 18 are the Aspen HSYSS diagrams.


Figure 16. Visio diagram for the complete distillation process

Figure 17. HYSYS PFD for solvent recovery sections for complete distillation process


Figure 18. HYSYS PFD for propane refrigeration section for complete distillation process

Material and Energy Balances All material and energy balances for both processes were valid. The material and energy streams for the complete distillation are shown below. Table 4 shows the balance about the liquid-liquid extractor that initiates the process. Comparable tables for the toluene flash separation process may be referenced in the Appendix E.

Table 4. Liquid-liquid extractor section material and energy streams balance for complete distillation process

StreamStream

TypeTemperature

(oC)Pressure

(kPa)Mass Flow

(kg/h)Heat Flow

(kJ/H)Toluene Acetonitrile Water Siloxane

Feed B Feed 20.00 101.32 60.00 7.22E+03 0.97 0.02 0.00 0.02Feed C Feed 20.00 101.30 200.00 2.01E+05 0.20 0.79 0.00 0.02Mix1 Extractor Feed 20.00 101.30 260.00 2.08E+05 0.37 0.61 0.00 0.02

TolueneRich Mixer Feed 20.00 101.30 96.01 1.25E+04 1.00 0.00 0.00 0.00AcetoRich Mixer Feed 20.01 101.30 533.99 -5.66E+06 0.00 0.30 0.69 0.01

Water Feed 20.00 101.30 370.00 -5.86E+06 0.00 0.00 1.00 0.00

Liquid-Liquid Extractor

Similarly, balances about the toluene recovery are shown in Table 5.

Table 5. Toluene recovery section material and energy streams balance for complete distillation process.

StreamStream

TypeTemperature

(oC)

Pressure (kPa)

Mass Flow (kg/h)

Heat Flow (kJ/H)

Toluene Acetonitrile Water Siloxane

Feed A Feed 20.00 101.30 270.00 2.62E+04 0.99 0.00 0.00 0.02Mix2 Column Feed 20.00 101.30 366.01 3.86E+04 0.99 0.00 0.00 0.01

Toluene Product Distillate 109.01 101.30 348.02 1.01E+05 1.00 0.00 0.00 0.00Siloxane Waste Bottoms 112.19 101.30 18.00 -3.84E+03 0.77 0.00 0.00 0.23

TolueneCooledProduct Product 20.00 101.30 348.02 4.52E+04 1.00 0.00 0.00 0.00SiloxaneCooledWaste Waste 20.00 101.30 18.00 -6.52E+03 0.77 0.00 0.00 0.23

Toluene Recovery

Table 6 shows the acetonitrile recovery section balances.


Table 6. Acetonitrile recovery section material and energy streams balance for complete distillation process.

StreamStream

TypeTemperature

(oC)Pressure

(kPa)Mass Flow

(kg/h)Heat Flow

(kJ/H)Toluene Acetonitrile Water Siloxane

Recycle* Recycle 20.06 101.08 819.91 -1.59E+06 0.03 0.78 0.19 0.00DistFeed Column Feed 20.04 101.08 1353.90 -7.25E+06 0.02 0.59 0.39 0.00Distillate Distillate 73.92 101.30 978.82 -1.23E+06 0.03 0.82 0.16 0.00

Waste water Waste 100.00 101.30 375.08 -5.75E+06 0.00 0.00 0.99 0.01FeedDistillation2 Column Feed 74.44 1013.22 978.82 -1.23E+06 0.03 0.82 0.16 0.00

WasteWater Cooled Waste 20.00 101.30 375.08 -5.87E+06 0.00 0.00 0.99 0.01Recycle Recycle 154.70 1013.25 820.81 -1.26E+06 0.03 0.78 0.19 0.00

Acetonitrile Product Product 174.16 1013.25 158.00 2.72E+05 0.00 1.00 0.00 0.00Recycled Recycle 20.00 1013.00 820.81 -1.58E+06 0.03 0.78 0.19 0.00

PumpedACETO Product 81.65 101.32 158.00 2.72E+05 0.00 1.00 0.00 0.00RE Recycle 20.06 101.08 820.81 -1.58E+06 0.03 0.78 0.19 0.00

AcetonitrileProduct Product 20.00 101.30 158.00 2.05E+05 0.00 1.00 0.00 0.00

Acetonitrile Recovery

Table 7 illustrates the balances about the propane refrigeration cycle including the water used to condense the propane in preparation for heat exchange with the process.

Table 7. Propane refrigeration cycle section material and energy streams balance for complete distillation process.

StreamStream

TypeTemperature

(oC)Pressure

(kPa)

Mass Flow

(kg/h)

Heat Flow (kJ/H)

Water Propane

Coolant1in Process Coolant -12.22 321.22 205.91 -5.53E+05 0.00 1.00Coolant1out Process Coolant -12.22 321.22 205.91 -4.97E+05 0.00 1.00Coolant2in Process Coolant -12.22 321.22 1197.70 -3.22E+06 0.00 1.00

Coolant2out Process Coolant -12.22 321.22 1197.70 -2.89E+06 0.00 1.00Coolant3in Process Coolant -12.22 321.22 244.12 -6.56E+05 0.00 1.00



Coolant5out Process Coolant -12.22 321.22 9.89 -2.39E+04 0.00 1.00Outtie Cycle -12.22 321.22 2027.89 -4.90E+06 0.00 1.00dipset Cycle 37.33 1289.00 2027.89 -4.81E+06 0.00 1.00

wetliquid Cycle 36.88 1276.00 2027.89 -5.45E+06 0.00 1.00loosewetliquid Cycle -12.22 321.20 2027.89 -5.45E+06 0.00 1.00

wawain Coolant 7.22 1.02 6116.90 -9.72E+07 1.00 0.00wawaout Coolant 32.22 4.82 6116.90 -9.66E+07 1.00 0.00

Propane Refrigeration Cycle

Balances were also completed about the entire process to validate conservation of mass and energy. The imbalance of the process, given by Equation 2, demonstrated the validity of PFD convergence.

Equation 2. Equation to calculate imbalance for material and energy streams.

𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝐼𝐼 = (𝑇𝑇𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼 𝐹𝐹𝐼𝐼𝑜𝑜𝑜𝑜 𝑜𝑜𝑜𝑜 𝑂𝑂𝑂𝑂𝑜𝑜𝐼𝐼𝐼𝐼𝑜𝑜 𝑆𝑆𝑜𝑜𝑆𝑆𝐼𝐼𝐼𝐼𝐼𝐼𝑆𝑆)− (𝑇𝑇𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼 𝐹𝐹𝐼𝐼𝑜𝑜𝑜𝑜 𝑜𝑜𝑜𝑜 𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜 𝑆𝑆𝑜𝑜𝑆𝑆𝐼𝐼𝐼𝐼𝐼𝐼𝑆𝑆)


Furthermore, the relative imbalance, illustrated in Equation 3, normalizes the imbalance to the total flow of inlet streams. The expected value of this figure is zero; however, HYSYS is accurate to %0.02 (11).

Equation 3. Equation to calculate relative imbalance for material and energy streams.

𝑅𝑅𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝑅𝑅𝑅𝑅𝐼𝐼 𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝐼𝐼 (%) =𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝐼𝐼

𝑇𝑇𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼 𝐹𝐹𝐼𝐼𝑜𝑜𝑜𝑜 𝑜𝑜𝑜𝑜 𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜 𝑆𝑆𝑜𝑜𝑆𝑆𝐼𝐼𝐼𝐼𝐼𝐼𝑆𝑆× 100

Table 8 shows inlet and outlet mass flows about the entire recovery process and refrigeration cycle.

Table 8. Material stream summary for complete distillation process.

InletMass Flow

(kg/h)Outlet

Mass Flow (kg/h)

Water 370.00 TolueneCooledProduct 349.52Feed B 60.00 Coolant1out 206.81Feed C 200.00 Coolant2out 1109.47Feed A 270.00 WasteWater Cooled 374.81

Coolant1in 206.81 Coolant4out 461.02Coolant2in 1109.47 AcetonitrileProduct 156.65Coolant4in 461.02 Coolant3out 242.03Coolant3in 242.03 Coolant1in-2 206.80

Coolant1out-2 206.80 Coolant2in-2 1109.00Coolant2out-2 1109.00 Coolant3in-2 10675.88Coolant3out-2 242.10 Coolant4in-2 -9972.78Coolant4out-2 461.00 Coolant5in-2 8.99Coolant5out-2 8.99 wawaout 6813.00

wawain 6813.00 SiloxaneCooledWaste 16.50Coolant5in 8.99 Coolant5out 8.99Sum (kg/h) 1.18E+04 1.18E+04

Imbalance (kg/h) -2.52Relative Imbalance (%) 0.00

Material Streams

A relative mass imbalance of zero percent demonstrates that the PDF is fully converged.

Table 9 shows inlet and outlet energy flows about the entire recovery process and refrigeration cycle.


Table 9. Energy stream summary for complete distillation process.

InletHeat Flow

(kJ/h)Outlet

Heat Flow (kJ/h)

Water -5.86E+06 Qc2 3.96E+06Feed B 7.22E+03 Qc3 1.05E+06Feed C 2.01E+05 Qc 3.18E+05Feed A 2.62E+04 TolueneCooledProduct 4.54E+04

Qr2 4.23E+06 Coolant1out -5.00E+05Qr3 1.27E+06 Coolant2out -2.68E+06Qp 1.45E+03 WasteWater Cooled -5.87E+06Qr 3.76E+05 Coolant4out -1.11E+06

Coolant1in -5.56E+05 AcetonitrileProduct 2.04E+05Coolant2in -2.98E+06 Coolant3out -5.85E+05Coolant4in -1.24E+06 Coolant1in-2 -5.56E+05Coolant3in -6.50E+05 Coolant2in-2 -2.98E+06

Coolant1out-2 -5.00E+05 Coolant3in-2 -2.87E+07Coolant2out-2 -2.68E+06 Coolant4in-2 2.68E+07Coolant3out-2 -5.85E+05 Coolant5in-2 -2.42E+04Coolant4out-2 -1.11E+06 wawaout -1.08E+08Coolant5out-2 -2.17E+04 SiloxaneCooledWaste -6.72E+03

Qcompala 1.65E+05 Coolant5out -2.17E+04wawain -1.08E+08

Coolant5in -2.42E+04Sum (kJ/h) -1.18E+08 -1.18E+08

Imbalance (kJ/h) -8.52E+02Relative Imbalance (%) 7.21E-06

Energy Streams

A relative energy imbalance of zero percent demonstrates that the PDF is fully converged.

Additionally, a unit operation summary, shown in Table 10, clarifies flows throughout the process.


Table 10. Unit operation summary for complete distillation process.

Unit Op Name

Mass Flow

(kg/h)

Heat Flow (kJ/h)

Volume Flow

(m3/h)

E-100 4.32E-06 4.32E-06 4.32E-06E-101 4.68E-06 -2.75E+01 4.68E-06E-102 5.40E-06 5.40E-06 5.40E-06E-103 5.04E-06 1.07E+01 5.04E-06E-104 6.12E-06 6.12E-06 6.12E-06E-105 5.76E-06 3.98E+01 5.76E-06K-100 7.20E-06 7.20E-06 7.20E-06

MIX-100 3.60E-07 3.60E-07 3.60E-07MIX-101 7.20E-07 7.20E-07 7.20E-07MIX-102 1.08E-06 1.08E-06 1.08E-06MIX-103 1.44E-06 1.44E-06 1.44E-06

P-100 2.88E-06 2.88E-06 2.88E-06RCY-1 -2.52E+00 -7.59E+02 -3.08E-03T-100 -9.99E-14 3.88E+01 -9.76E-17T-101 2.52E-06 1.61E+00 2.52E-06T-102 1.80E-06 -1.67E+02 1.80E-06T-103 2.16E-06 1.06E+01 2.16E-06

TEE-100 6.84E-06 6.84E-06 6.84E-06VLV-100 3.24E-06 3.24E-06 3.24E-06VLV-101 3.60E-06 3.60E-06 3.60E-06VLV-102 3.96E-06 3.96E-06 3.96E-06

Unit Operation Summary

Table 11 shows utility energy requirements that factor into the fixed costs.


Table 11. Utility energy requirements

StreamHeat Flow

(kJ/H)Qc 3.16E+05Qr 3.75E+05

Qc2 4.26E+06Qr2 4.54E+06Qc3 1.15E+06Qr3 1.39E+06Qp 1.58E+03

Qcompala 9.21E+04

Utility Energy

Process Description & Equipment Specifications Detailed design calculations for equipment sizing and detailed cost calculations are included in

Appendix C. A variance in feed streams demonstrated the robustness of the process. Table 12 presents the data acquired by varying the flow rates and mass fraction compositions by ±10%.


Flow Rate + 10%

Feed Flowrate (kg/hr)

Flowrate +10% (kg/hr)

Toluene wt% in Product

Stream

Acetonitrile wt% in Product Stream

Siloxane wt% in Product

streamFeed A 270 297 99.99 99.99 24.75Feed B 60 66 99.99 99.99 24.75Feed C 200 220 99.99 99.99 24.75

Process Water 370 407 99.99 99.99 24.75Flow Rate - 10%

Feed Flowrate (kg/hr)

Flowrate -10% (kg/hr)


Stream



streamFeed A 270 243 99.99 99.99 20.25Feed B 60 54 99.99 99.99 20.25Feed C 200 180 99.99 99.99 20.25

Process Water 370 333 99.99 99.99 20.25

Weight % + 10%

Feed Weight %

AcetonitrileWeight %

Acetonitrile +10%


Stream



StreamFeed A 0 0 99.99 99.99 22.50Feed B 2 12 99.99 99.99 22.50Feed C 78.5 88.5 99.99 99.99 22.50

Weight % - 10%

Feed Weight %

AcetonitrileWeight %

Acetonitrile -10%


Stream



StreamFeed A 0 0 99.99 99.99 22.49Feed B 2 2 99.99 99.99 22.49Feed C 78.5 68.5 99.99 99.99 22.49

*Increased the Acetonitrile Weight %'s of Feeds B & C by 10% of their original value

*Decreased the Acetonitrile Weight % of Feed C by 10% of their original value

Variance of Flow Rate*Increased each of the flowrates by 10% of their original value

Variance of Flow Rate & Mass Fraction for Observance of Specification SatisfactionThree Distillation Column Process

*Decreased each of the flowrates by 10% of their original value

Variance of Weight Percent

Liquid-Liquid Extractor The liquid-liquid extractor (LLE) is the first unit operation in the solvent recovery process. The separation achieved by the LLE dictates the rest of the separation techniques and to what degree they

Table 12. Results from Variance of Flow Rate and Mass Fraction


are achieved. Liquid-liquid extraction is a separation method driven by differences in the relative solubilities of to non-miscible liquids. This separator separates toluene from acetonitrile and siloxane. Before entering the LLE, FEED’s B & C are mixed together in a mixer in order to combine the two steams into a single feed steam. Water is added as a solvent for acetonitrile and siloxane. The amount of water to achieve optimal separation was found by using an adjust function in Aspen HYSYS, which set the mass fraction target for the top liquid phase as zero. The feed specifications can be referenced below in Table 13.

Table 13. Feed Conditions

Stream Temperature

(oC)

Pressure

(kPa)

Mass Flow Rate

(kg/hr)

Weight Percent Toluene

Weight Percent

Acetonitrile

Weight Percent Siloxane

Weight Percent Water

Feed B 20 101.3 60 96.5 % 2.00% 1.5 % 0 % Feed C 20 101.3 200 19.5 % 78.5 % 2.0 % 0 % Combined Feed

20 101.3 260 37.0 % 61.0% 2.0 % 0 %

Process Water

20 101.3 370 0 % 0 % 0 % 100 %

After the liquid-liquid extractor the toluene liquid phase is combined with Feed A and fed to a distillation to further purify the toluene product stream. The second liquid phase containing water, acetonitrile, and siloxane is subjected to swing pressure distillation in order to work around the azeotrope observed between water and acetonitrile. The conditions of the two liquid phases can be seen below in Table 14.

Table 14. Product Conditions

Stream Temperature (oC)

Pressure (kPa)

Mass Flow Rate (kg/hr)

Weight Percent Toluene

Weight Percent Acetonitrile

Weight Percent Siloxane

Weight Percent Water

Toluene Rich Phase

20

101.3 96

~100% - - Trace

Acetonitrile Rich Phase

20 101.3 534 0.1% 30.0% 0.9% 69.0%


Calculating the Diameter and Height of the LLE Once the unit was converged in HYSYS, the LLE was designed by determining its diameter and

height. The first step in this process was to calculate the total volumetric flow rate of both the process stream to be extracted, the mixture of streams B and C entering the extractor at the bottom, and the water entering the extractor from the top. Volumetric flow rates were computed according to Equation

4 using the overall mass flow rates,�̇�𝐼, and densities, ρ, of the two streams entering the extractor:

Equation 4.Volumetric flow rate calculation

�̇�𝑉 =�̇�𝐼𝜌𝜌

The extractor was modeled as a rotating-disc contactor (RDC), which is a vertical shaft with rotating disks between horizontal stators. Seider et al. cite the maximum total liquid throughput, ν, of an RDC as 120 ft3 of liquid/hr-ft2 of column cross-sectional area (23). The minimum cross-sectional area,

Ac, min, was calculated from this value and the total volumetric flow rate,�̇�𝑉𝑜𝑜𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼 , of both streams

entering the extractor using Equation 5:

Equation 5. Minimum cross-sectional area calculation

𝐴𝐴𝑜𝑜 ,𝐼𝐼𝑅𝑅𝐼𝐼 = �̇�𝑉𝑜𝑜𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼𝜐𝜐

Seider et al. suggest assuming a throughput of 60% of the maximum value to calculate the actual cross-sectional area, Ac, which is shown in Equation 6:

Equation 6. Actual cross-sectional area as a factor of the minimum cross-sectional area.

𝐴𝐴𝑜𝑜 =𝐴𝐴𝑜𝑜 ,𝐼𝐼𝑅𝑅𝐼𝐼

0.6

Equation 7 shows how the diameter, D, of the extractor was calculated from the cross-sectional area and the equation of the area of a circle:

Equation 7. Diameter calculation from cross-sectional area.

𝐴𝐴𝑜𝑜 = 𝜋𝜋 ∗ �𝐷𝐷2�

2

𝑆𝑆𝑜𝑜𝐼𝐼𝑅𝑅𝐼𝐼 𝑜𝑜𝑜𝑜𝑆𝑆 𝐷𝐷�⎯⎯⎯⎯⎯⎯⎯� 𝐷𝐷 = �

4 ∗ 𝐴𝐴𝑜𝑜𝜋𝜋 �

0.5

The diameter was found to be 0.65 ft.


To find the height of the extractor the height equivalent to a theoretical stage (HETP) is required, for which Seider et al. state can be between 2 and 4 ft. Due to the fact that acetonitrile is highly soluble in water, and the solubility to toluene in water is only 0.05 g/100 g water at 20 °C, an HETP of 2 ft. was used (17) (15). With the 3 ft. at both the top and bottom of the extractor suggested by Seider et al., the total height was calculated as the product of the HETP, Ht, and the number of trays found by HYSYS, N, plus the 3 ft. space at the top, T, and the 3 ft. space at the bottom, B, as shown in Equation 8.

Equation 8. Total height calculation

𝐻𝐻 = 𝐻𝐻𝑜𝑜 ∗ 𝑁𝑁 + 𝑇𝑇 + 𝐵𝐵

The total height of the LLE was found to be 26 ft.

Liquid-Liquid Extractor Costing The LLE was modeled as a rotary-disk contactor (RDC) liquid-liquid extractor made of carbon steel. The 2007 purchase price for the 0.31 m diameter and 7.92 m long LLE is $2,959. The 2009 cost adjusted purchase price is $5,113. In addition to the LLE vessel, couplings were priced out at $945/coupling. The 2007 purchase price for 3 couplings is $2,835 and the 2009 cost adjusted purchase price is $2,959. The LLE design specifications and costing summary can be seen in Table 15.

Table 15. Specifications and Cost

Design Diameter

(m)

Tray Spacing

(m)

Number of Trays

Length of Column (m)

Column Wall Thickness (m)

Purchase Cost of

Extractor

Couplings Cost

Total Cost of LLE

0.3 0.61

10

7.92 0.016 $5,113 $2,959 $8,072

Distillation Columns The following process has a total of three distillation columns. The purpose of distillation column 1 is to separate toluene and siloxane. The toluene product comes out in the distillate stream due to its relative volatility compared to that of siloxane, which has a boiling point of 303.2oC. The toluene product stream exits with a minimum purity of 99.92%. The bottom stream from distillation column 1 is the siloxane waste stream, which must have less than 25wt% siloxane to keep siloxane from precipitating out of solution. The other two distillation columns are used in a swing pressure distillation system, where one of the columns is run at a higher pressure in order to work around the azeotrope found between water and acetonitrile. The first distillation column in the system works up to the azeotrope removing a fair amount of water and siloxane out of the bottoms of column. The distillate more pure in acetonitrile is then passed through a pump rising its pressure before entering the second column in the system. The second column operating a higher pressure essentially “breaks the azeotrope”, allowing for


an extremely pure acetonitrile product stream to be obtained as the bottoms of the second column. The distillate stream of the second column is used as a recycle stream for the swing pressure system.

The distillation columns in the process are tray columns. Sieve trays are used for the distillation columns because of their low cost. Carbon steel shell and trays are used because none of the components in the system were found to be corrosive.

Estimating Column Pressure and Condenser Type The column operating conditions are important in obtaining the desired weight percent specifications. The diagram in Figure 19 was followed to determine an appropriate column pressure and condenser type.

Figure 19. Algorithm for Determining Distillation Column Pressure and Condenser Type (23)

Utilizing the aforementioned algorithm, it was determined that each of the distillation columns required a total condenser. Table 16 includes the operating conditions for each of the distillation columns used in the given process.

Table 16. Distillation Column Operating Conditions

Distillation Column

Inlet Temperature

(oC)

Inlet Pressure

(kPa)

Distillate Temperature

(oC)

Distillate Pressure

(kPa)

Bottoms Temperature

(oC)

Bottoms Pressure

(kPa)

1 (Toluene) 20.0 101.3 109.0 101.3 112.2 101.3


2 (Swing 1) 20.0 101.3 73.9 101.3 100.0 101.3

3 (Swing 2) 74.4 1013 154.7 1013 174.2 1013

Calculating Number of Trays In order to determine the number of that each distillation columns needs, the distillation columns are modeled in HYSYS using short cut distillation method. The shortcut distillation method provides the information such as the mole fraction, vapor fraction, and Ki for all the streams so that the Fenske Equation can be used to determine the minimum number of tray (Nmin), as well as the minimum reflux ratio (Rmin). The pertinent equations can be seen below in Equations 9-13.

Equation 9.Fenske equation to determine minimum number of stages

𝑁𝑁𝐼𝐼𝑅𝑅𝐼𝐼 = ln��dLK

bLK� ∗ �bHK

bHK��

ln�𝛼𝛼𝐿𝐿𝐾𝐾/𝐻𝐻𝐾𝐾�

Equation 10. Underwood equation to determine theta

�(𝛼𝛼𝑅𝑅) ∗ (𝑥𝑥𝐹𝐹,𝑅𝑅)

(𝛼𝛼𝑅𝑅 ∗ 𝜃𝜃)

𝐼𝐼

𝑅𝑅=1

Equation 11. Solve for minimum reflux ratio from theta in Equation 10.

𝑅𝑅𝐼𝐼𝑅𝑅𝐼𝐼 + 1 = �(𝛼𝛼𝑅𝑅) ∗ (𝑥𝑥𝑑𝑑 ,𝑅𝑅)

(𝛼𝛼𝑅𝑅 ∗ 𝜃𝜃)

𝐼𝐼

𝑅𝑅=1

Once the minimum number of trays and reflux ratios are determined, the total number of trays (N) and the ratio of stage above and below the feed can be determined using Gilliland Correlation and Kirkbride equation.

Equation 12. Gilliland correlation to solve for actual number of stages.

𝑁𝑁 −𝑁𝑁𝐼𝐼𝑅𝑅𝐼𝐼𝑁𝑁 + 1 = 0.75�1 − �

𝑅𝑅 − 𝑅𝑅𝐼𝐼𝑅𝑅𝐼𝐼𝑅𝑅 + 1 �

0.566

�


Equation 13. Fenske equation to estimate the feed plate location

ln �𝑁𝑁𝐵𝐵𝑁𝑁𝐷𝐷� = 0.206 ∗ ln ��

𝐵𝐵𝐷𝐷�

∗ �𝑥𝑥𝐻𝐻𝐾𝐾𝑥𝑥𝐿𝐿𝐾𝐾

�𝐹𝐹∗ �

(𝑥𝑥𝐿𝐿𝐾𝐾)𝐵𝐵(𝑥𝑥𝐻𝐻𝐾𝐾)𝐷𝐷

�2

�

The technique was used as a starting point for the process simulation; however, the results of the following equations were not the final specifications of the columns. The column tray number and reflux ratio were determined by variance within Aspen HYSYS. The number of trays and reflux ratios for each of the distillation columns can be seen Table 17.

Table 17. Distillation column specifications

Distillation Column

Number of Trays

Number of Distillate Trays

Number of Bottoms Trays

Reflux ratio

1 (Toluene) 20 9 11 1.5

2 (Swing 1) 20 9 11 3.3

3 (Swing 2) 20 9 11 0.5

Determining the Dimensions of the Distillation Column The determination of the diameter for a distillation column is a relatively straightforward process requiring only vapor flow rate, G, liquid flow rate, L, pressure, liquid density, ρL, and vapor density, ρG. Using the aforementioned properties the flow ratio parameter is calculated using Equation 14, seen below.

Equation 14.Flow ratio parameter of liquid and vapor flow rates

𝐹𝐹𝐿𝐿𝐿𝐿 = �𝐿𝐿𝐿𝐿�

∗ �𝜌𝜌𝐿𝐿𝜌𝜌𝐿𝐿�

0.5

The parameter CSB is estimated using the obtained value for the flow ratio parameter, 18-in. tray spacing, and Figure 20, referenced below.


Figure 20. Flooding correlation vs. flow ratio parameter (45).

Using the parameter CSB, the empirical capacity parameter, C, is calculated for use in the determination of the flooding velocity. The appropriate equation includes a surface tension factor, FST, a foaming factor, FF, and a hole-area factor, FHA; the equation can be referenced below in Equation 15.

Equation 15.Empirical capacity parameter calculation

𝐶𝐶 = 𝐶𝐶𝑆𝑆𝐵𝐵 ∗ 𝐹𝐹𝑆𝑆𝑇𝑇 ∗ 𝐹𝐹𝐹𝐹 ∗ 𝐹𝐹𝐻𝐻𝐴𝐴

The flooding velocity, Uf, is computed from the empirical capacity parameter, based on a force balance on a suspended liquid droplet which can be referenced below in Equation 16 (23).

Equation 16. Flooding velocity

𝑈𝑈𝑜𝑜 = 𝐶𝐶 ∗ �𝜌𝜌𝐿𝐿 − 𝜌𝜌𝐿𝐿𝜌𝜌𝐿𝐿

�0.5

The tower inside diameter, DT, is computed using tower cross-sectional diameter, At, downcomer area, AD, and flooding fraction, f. The equation can be referenced in Equation 17.

Equation 17. Tower inside diameter.

𝐷𝐷𝑇𝑇 = �4𝐿𝐿

�𝑜𝑜𝑈𝑈𝑜𝑜�𝜋𝜋 �1 − �𝐴𝐴𝐷𝐷𝐴𝐴𝑜𝑜� 𝜌𝜌𝐿𝐿�

�

0.5


Following the calculation for the diameter of the column, it is necessary to calculate the length and thickness of the column, which are pertinent components in the costing of the distillation columns.

The thicknesses of each of the distillation columns in the process were calculated to ensure column rigidity and strength to stand up to potential earthquake hazards and wind loads. While Leominster, MA is not in a particularly earthquake-prone location, it was determined prudent to overdesign the columns for this situation, which does not require an over-excess of additional steel for construction.

To calculate the column thicknesses, the thickness of steel needed for the top of the columns was first determined. This requires the determination of the inner diameter of the column, the design pressure, the maximum allowable stress of the steel, and the weld efficiency for construction. The inner diameter was found using Equation 17, as shown in the section above. Two of the columns (T-101 and T102) were designed to operate at atmospheric pressure, for which Seider et al. recommends a design pressure of 10 psig (23).The second column in the pressure swing distillation portion of the design (T-103) operates at 132.3 psig, which necessitates the use of Equation 18 to determine the design pressure:

Equation 18. Design pressure calculation

𝑃𝑃𝑑𝑑 = exp(0.60608 + 0.91615[𝐿𝐿𝐼𝐼(𝑃𝑃𝑜𝑜)] + 0.0015655[𝐿𝐿𝐼𝐼(𝑃𝑃𝑜𝑜)]2 )

Since none of the components being distilled are corrosive, it was deemed sufficient to construct the columns from Grade C carbon steel, for which the maximum allowable stress is 12650 psig (15) (17) (46). For carbon steel up to 1.25 in. thick, only a 10% spot X-ray check of the welds are necessary and Seider et al. cite a weld efficiency of 0.85 to be sufficient (23).With these parameters defined it was then possible to calculate the thickness of carbon steel at the top of the columns necessary to withstand the internal pressure, tp, as shown in Equation 19:

Equation 19.Thickness of top of column

𝑜𝑜𝑝𝑝 =𝑃𝑃𝑑𝑑𝐷𝐷𝑅𝑅

2𝑆𝑆𝑆𝑆 − 1.2𝑃𝑃𝑑𝑑

Here Pd is the design pressure, Di is the internal diameter of the column, S is the maximum allowable stress of Grade C carbon steel, and E is the weld efficiency. For columns T-101 and T-102 the calculated thickness was not sufficient for the rigidity of the column, so a thickness of 0.3125 in. was used for tp.

The next step in the process was to calculate tw, the excess necessary thickness of the column at the bottom to withstand earthquake and wind load. For this, the approximate outer diameter of the column, the column length, and the maximum allowable stress are required. The lengths of the columns were calculated as the sum of the space between the trays and that required for a sump below the trays and a disengagement space above the trays. Seider et al. cite 10 ft. and 4 ft. for sump and


disengagement spaces respectively for a column with 2 ft. tray spacing (23). These were scaled for the 18 in. tray spacing used for each of the columns in the process according to Equation 20:

Equation 20.Column length

𝐿𝐿 = (𝑁𝑁 − 1)𝐻𝐻𝑜𝑜 ,2 +10𝐻𝐻𝑜𝑜 ,2

𝐻𝐻𝑜𝑜 ,1+

4𝐻𝐻𝑜𝑜 ,2

𝐻𝐻𝑜𝑜 ,1

In this equation L is the column length, N is the number of trays, Ht,1 is the tray spacing requiring 10 ft. and 4 ft. sump and disengagement spaces respectively, and Ht,2 is the tray spacing of the columns in the process. To calculate the approximate outer diameter of the column, Seider et al. recommend utilizing a conservative estimate for the total thickness of the column wall, twall, to ensure that the column can stand up to any earthquake or high winds that may occur (23). The approximate outer diameters of the columns, Do, were calculated using Equation 21:

Equation 21. Outer column diameter calculation

𝐷𝐷𝑜𝑜 = 𝐷𝐷𝑅𝑅 + 2𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼𝐼𝐼

The excess thickness required for earthquake and wind hazards, tw, was calculated using Equation 22:

Equation 22.Excess thickness calculation

𝑜𝑜𝑜𝑜 =0.22(𝐷𝐷𝑜𝑜 + 18)𝐿𝐿2

𝑆𝑆𝐷𝐷𝑜𝑜2

The variable S in Equation 22 is again the maximum allowable stress of Grade C carbon steel. From this excess thickness required at the bottom of the column, the total wall thickness at the bottom of the column, twallbottom, was calculated using Equation 23:

Equation 23. Thickness of bottom of column

𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝐼𝐼 = 𝑜𝑜𝑝𝑝 + 𝑜𝑜𝑜𝑜

To find the thickness of the columns to use for costing purposes it was then necessary to find the average thickness of the columns over their lengths, tv, for which Equation 24 was used:

Equation 24.Average thickness of column throughout length

𝑜𝑜𝑅𝑅 =𝑜𝑜𝑝𝑝 + 𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝑜𝐼𝐼

2

Despite the chemicals being distilled not being cited as being corrosive, for the sake of prudence in design an allowance for corrosion was nevertheless added to the average wall thickness to account for any corrosion that might occur over the planned 18 year lifespan of the plant. The final calculated thickness was determined using Equation 25:


Equation 25.Corrosion insurance to find column thickness

𝑜𝑜𝑜𝑜 = 𝑜𝑜𝑅𝑅 + 𝑜𝑜𝑜𝑜

In Equation 25 tf is the final calculated column wall thickness, tv is the average wall thickness, and tc is the excess thickness allowed for corrosion. Taking into account the fact that steel is manufactured in 1/16 in. increments from 3/16 in. to ½ in. inclusively, the thickness of each of the columns was ultimately found to be ½ in.

The calculated column dimensions can be referenced below in Table 18, worth noting, a design diameter was used for calculation of the purchase cost of the distillation columns. The actual diameter was rounded up to the next whole meter diameter.

Table 18. Distillation Column Dimensional Specifications

Distillation Column

Diameter (m)

Design Diameter

(m)

Number of Trays

Length (m)

Thickness (m)

1 (Toluene) 1.05 2.00 20 11.97 0.013

2 (Swing 1) 2.72 3.00 20 11.97 0.013

3 (Swing 2) 0.92 1.00 20 11.97 0.013

Distillation Column Costing All of the distillation columns were modeled with a carbon steel shell, carbon steel sieve trays, and 68 kg steel couplings, flanged manholes, and flanged nozzles. The cost of the distillation columns is based off of a design diameter and the length of the column, where as the cost of the trays is only based upon the column diameter. The 2007 purchase cost for the first distillation column (2.00m diameter) is $57,859 and the 2007 installation cost for the trays is $21,489. The 2009 cost adjusted price for the column is $60,394 and the cost adjusted price of the trays is $22,430. The 2007 purchase cost for the second distillation column (3.00m diameter) is $88,177 and the 2007 installation cost for the trays is $33,962. The 2009 cost adjusted price for the column is $92,040 and the cost adjusted price of the trays is $35,450. The 2007 purchase cost for the third distillation column (1.00m diameter) is $57,635 and the 2007 installation cost for the trays is $10,998. The 2009 cost adjusted price for the column is $60,159 and the cost adjusted price of the trays is $11,480.

The costs of the connections were calculated using the thickness of the respective distillation column. As a result of all the thicknesses being the same for all three columns the connections cost was the same. It was estimated that each column needed five couplings, three flanged manholes, and five flanged nozzles. The 2007 purchase cost for connections is $40,535 and 2009 cost adjusted purchase cost is $42,311. All of the estimated costs can be clearly seen in Table 19.


Table 19. Distillation Column Cost Breakdown.

Distillation Column

Purchase Cost of Column

Installation Cost of Trays

Couplings Cost

Flanged Manholes

Cost

Flanged Nozzles

Cost

Total Cost of Distillation

Column

1 $ 60,394 $ 22,430 $ 4,932 $ 21,453 $ 15,925 $ 125,134

2 $ 92,040 $ 35,450 $ 4,932 $ 21,453 $ 15,925 $ 169,800

3 $ 57,635 $ 10,998 $ 4,932 $ 21,453 $ 15,925 $ 110,933

Total Purchase Cost of Distillation Columns $ 405,867

Heat Exchangers Heat exchangers are vital unit processes in most industrial processes. Choosing the materials of construction and dimensions are important in ensuring safe operation and proper heat exchange. Most of the heat exchangers in process are modeled as double pipe heat exchangers due to their relatively small heat transfer area; however, the condenser for distillation column two is modeled as a floating head shell-and-tube heat exchanger due to its large heat transfer area. For all of the heat exchangers used in the process carbon steel was used as the material of choice due to each of the utilized chemicals non-corrosive properties.

Design of the Heat Exchangers The log mean temperature difference method was used to determine the heat exchange area necessary for proper heat exchange. For the log mean temperature difference method, the duty and log mean temperature difference are taken directly from Aspen HYSYS. The log mean temperature difference was checked using Equation 26.

Equation 26. Log mean temperature difference for shell-and-tube heat exchanger

∆𝑇𝑇𝐿𝐿𝐿𝐿 =∆𝑇𝑇1 − ∆𝑇𝑇2

ln �∆𝑇𝑇1∆𝑇𝑇2

�

Where ∆𝑇𝑇1 is 𝑇𝑇ℎ ,𝑅𝑅𝐼𝐼 − 𝑇𝑇𝑜𝑜 ,𝑜𝑜𝑂𝑂𝑜𝑜 and ∆𝑇𝑇2 = 𝑇𝑇ℎ ,𝑜𝑜𝑂𝑂𝑜𝑜 − 𝑇𝑇𝑜𝑜 ,𝑅𝑅𝐼𝐼 .

In order to solve for the heat transfer area, an overall heat transfer coefficient, U, was estimated using the typical range of overall heat transfer coefficients that are relevant to the fluids flowing through the heat exchanger, which was obtained from literature (23). Once the U value was selected the heat transfer area was calculated using Equation 27.


Equation 27. Heat exchange area calculation

𝐴𝐴 =𝑄𝑄

𝑈𝑈𝐹𝐹𝑇𝑇∆𝑇𝑇𝐿𝐿𝐿𝐿

In the Equation 27, A is the heat transfer area, Q is the required duty, and FT is the correction factor, which is also found within the HYSYS interface. The correction factor was found to be 1 for all of the heat exchangers in process.

Heat Exchanger Costing The material of construction for all of the exchangers in the system is carbon steel because there is no risk of corrosion. For each of the stream heat exchangers propane is used as the utility fluid due to its effective heat transfer properties. Cooling water is used as the utility fluid for each of the distillation column condenser, as well as the condenser used in the refrigeration cycle. Both low pressure and high pressure steam are used as the utility fluid for the distillation column reboilers. In each of the heat exchangers found within the process, the process stream is run through the tubes of the heat exchanger. The flow rates of both the process stream and the utility fluid dictate the size of the heat exchangers. Each of the heat exchangers are priced off of the costing equations provided in the costing spread sheet.

The observed operating conditions for each of the heat exchangers can be seen Table 20.

Table 20. Heat exchanger operating conditions

Heat Exchanger

Mass Flow Rate (kg/hr)

Inlet Temperature

(oC)

Outlet Temperature

(oC)

Inlet Pressure

(kPa)

Outlet Pressure

(kPa) Fluid

1 Toluene Product

349.5 109.0 20.0 101.3 101.3 Process

206.8 -12.2 -12.2 321.2 321.2 Propane

2 Siloxane Waste

16.5 112.2 20.0 101.3 101.3 Process

8.9 -12.2 -12.2 321.2 321.2 Propane

3 Recycle

820.8 154.7 20.0 101.3 101.3 Process

1109.0 -12.2 -12.2 321.2 321.2 Propane

4 Acetonitrile

Product

156.6 81.7 20.0 101.3 101.3 Process

242.1 -12.2 -12.2 321.2 321.2 Propane

5 Waste Water

374.8 100.0 20.0 101.3 101.3 Process

461.0 -12.2 -12.2 321.2 321.2 Propane


The observed operating conditions for each of the condensers can be seen in Table 21.

Table 21. Condenser operating conditions.

Condenser Mass Flow

Rate (kg/hr)

Inlet Temperature

(oC)

Outlet Temperature

(oC)

Inlet Pressure

(kPa)

Outlet Pressure

(kPa) Fluid

1 Distillation Column 1

873.8 110.6 109.0 101.2 101.2 Process

4511.0 32.2 48.9 4.8 11.7 Cooling Water


3891.0 76.3 75.5 101.3 101.3 Process

5.6E4 32.2 48.9 4.8 11.7 Cooling Water


1106.0 159.0 157.0 1013 1013 Process

825.9 32.2 48.9 4.8 11.7 Cooling Water

4 Refrigeration

Cycle

2028 37.3 36.9 1289 1276 Propane

6813 7.2 32.2 1.0 4.8 Cooling Water

The observed operating conditions for each of the reboilers can be seen in Table 22.


Table 22. Reboilers operating conditions.

Reboiler Mass Flow

Rate (kg/hr)

Inlet Temperature

(oC)

Outlet Temperature

(oC)

Inlet Pressure

(kPa)

Outlet Pressure

(kPa) Fluid


1037.0 110.7 112.4 101.5 101.4 Process

177.4 147.6 147.6 446.1 446.1 50 psig Steam


1874.0 99.99 100.0 101.3 101.3 Process

1995.0 147.6 147.6 446.1 446.1 50 psig Steam


2003.0 174.2 174.2 1013 1013 Process

638.7 185.5 185.5 1136 1136 150 psig Steam

The equipment costs for the heat exchangers were determined using the calculated heat transfer area and the appropriate costing equation. The heat transfer area and the corresponding cost for the heat exchangers can be found in Table 23.


Table 23. Heat exchanger cost.

Heat Exchanger

∆Tlm

(oF) U

(Btu/ft2-hr-oF) Duty

(Btu/hr) Heat Transfer

Area (m2) Purchased

Cost

1 Toluene Product

120.9 200 5.3E4 0.20 $ 1,256

2 Siloxane Waste

123.0 200 2.9E5 0.89 $ 1,028

3 Recycle

148.0 200 6.2E4 0.28 $ 1,379

4 Acetonitrile

Product

103.8 200 1.2E5 0.48 $ 1,281

5 Waste Water

115.4 200 2.3E3 0.01 $ 1,325

Total Purchase Cost of Heat Exchangers $ 6,269

The heat transfer area and the corresponding cost for the condensers can be found in Table 24.

Table 24. Condenser cost.

Condenser ∆Tlm

(oF) U



Area (m2) Purchased

Cost


124.0 150 3.0E5 1.5 $ 1,426


62.4 125 3.8E6 44.8 $ 9,883


211.0 125 9.9E5 3.5 $ 1,504

4 Refrigeration

Cycle

24.9 140 6.1E5 16.2 $ 1,658

Total Purchase Cost of Condensers $ 14,471


The heat transfer area and the corresponding cost for the reboilers can be found in Table 25.

Table 25. Reboilers cost.

Reboiler ∆Tlm

(oF) U



Area (m2) Purchased

Cost


64.9 250 3.6E5 2.0 $ 1,453


85.7 325 4.2E6 14.1 $ 1,643


20.4 250 1.3E6 23.2 $ 1,696

Total Purchase Cost of Reboilers $ 4,792

Pumps The process does not heavily rely on the use of pumps; however, the one pump used in the process is pivotal for the execution of the swing pressure distillation. The pump increases the pressure of the distillate from distillation column two by a factor of 10 in order to “break the azeotrope”. The pump used for the process was a stainless steel centrifugal pump with an enclosed, fan cooled alternating current electric motor. The volumetric flow rate (Q) and the power requirement are obtained from the Aspen HYSYS simulation. The pump operates at 75% efficiency. The pump operating conditions and 2009 cost adjusted purchase costs can be referenced in Table 26.

Table 26. Pump Operating Conditions and Cost.

Pump Q

(gal/min) ∆P

(psi) Head (ft)

Power Requirement

(kW)

Purchase Cost of Pump

Purchase Cost of Motor

Total Purchase Cost of Pump

1 5.23 132.3 405.3 0.40 $ 3,597 $ 269 $ 3,866

Compressors A compressor is used in the refrigeration cycle of the process to increase the pressure of the propane vapor, “essentially it acts a pump for vapor streams” (47). The compressor has a gas discharge temperature of 100oC. The compressor is modeled as a carbon steel rotary centrifugal compressor with a pressure rating up to 7000 kPa. The operating conditions of the compressor can be seen in Table 27.


Table 27. Compressor Operating Conditions.

Compressor

Mass Flow Rate

(kg/hr)

Inlet Temperature

(oC)

Inlet Pressure

(kPa)

Outlet Temperature

(oC)

Outlet Pressure

(kPa)

Inlet Vapor

Fraction

Outlet Vapor

Fraction

1 2028.0 -12.2 321.2 37.3 1289 1.00 0.89

The compressor power requirement was outside the estimated ranges for the costing equations; however, upon advisory from Dr. Sani, the cost of the compressor was calculated using the compressor with the lowest power requirement from the costing equations. The adiabatic efficiency of the compressor is 75% and the polytropic efficiency calculated with the Shultz polytropic method is 76%. The power requirement, as well as the cost of the rotary centrifugal compressor can be seen in Table 28.

Table 28. Compressor Operating Conditions and Cost.

Compressor Mass Flow

Rate (kg/hr)

Adiabatic Efficiency

Power Requirement

(kW) Purchase Cost

1 2028.0 75.0% 25.5 $ 37,425

Mixers Mixers were used in the process to combine multiple steams into a single stream. Mixers were used to combine the following streams:

• Feeds B & C

• The toluene rich liquid phase from the LLE & Feed A

• The acetonitrile rich liquid phase from the LLE & the recycle stream

• All of the propane coolant streams

The mixers were modeled as carbon steel closed tank propeller agitators with an estimated residence time of two minutes (48). Using the flow rate through the mixer, Q, and the estimated residence time, τ, the volume of the mixer, VMIX, was calculated using Equation 28.

Equation 28.Volume of mixer from flow rate and residence time

𝑉𝑉𝐿𝐿𝐼𝐼𝑀𝑀 = 𝑄𝑄 ∗ 𝜏𝜏


In the aforementioned equation, τ stands for the residence time of the mixer. With the intended application of blending miscible liquids, the literature estimates a power requirement of 0.5 Hp/1000 gallons. Utilizing the previously calculated volume, the power requirement for each of the mixers was calculated. The mixer operating conditions, specifications, and cost can be found in Table 29.

Table 29. Mixers Operating Conditions and Cost.

Mixer Volumetric Flow rate (gal/min)

Residence Time (min)

Volume of Agitator

(gal)

Power Requirement

(Hp)

Purchase Cost

1 Feeds B & C

1.39 2 2.77 1.0E-3 $ 1,367

2 Toluene LLE &

Feed A 1.85 2 3.70 1.0E-3 $ 1,437

3 Acetonitrile &

Recycle 6.52 2 13.0 5.0E-3 $ 1,787

4 Propane Coolant

Streams 1366.6 2 2733.2 1.4 $ 4,513

Total Purchase Cost of the Mixers $ 9,104

Valves Valves are necessary for the reduction of pressure and temperature of the streams for which they are implemented. Valves were used on the following streams in the process:

• The acetonitrile product stream (1013 kPa 101.3 kPa)

• The recycle stream (1013 101.3 kPa)

• The propane coolant stream in the refrigeration cycle (1276 kPa 321.2 kPa)

The valves were modeled as carbon steel butterfly construction diaphragm valves, which has a cost based of its nominal diameter. In order to find the nominal diameter, the cross–sectional area was calculated using the velocity, ν, and volumetric flow rate, Q, obtained from HYSYS. The calculation for cross-sectional area, Ac, can be seen in Equation 29.

Equation 29. Cross-sectional area calculation

𝐴𝐴𝑜𝑜 =𝑄𝑄𝑅𝑅


Using the equation for cross-sectional area the nominal diameter is calculated. The valve specifications and purchase costs can be seen in Table 30.

Table 30. Valve specifications and costs.

Valve Velocity

(m/s)

Volumetric Flow Rate

(m3/s)

Cross Sectional Area (m2)

Diameter (m)

Purchase Cost

1 Acetonitrile

Product

3.7E-2 1.0E-4 2.0E-3 5.0E-2 $ 1,609

2 Recycle Stream

1.3E-1 3.0E-4 2.0E-3 5.0E-2 $ 1,609

3 Propane

Refrigeration

6.0E-1 1.2E-3 2.0E-3 5.0E-2 $ 1,609

Total Purchase Cost of Valves $ 4,827

Utility Summary Utility requirements were calculated for both processes based on annual consumption from a public or private company, for example. The one exception was the propane refrigeration cycle that services all the heat exchangers but not the distillation columns condensers and reboilers. For the refrigeration cycle, the cost of propane was a one-time capital expense. The residence time of a unit of propane within the refrigeration cycle determined the required amount of propane. In this way, the residence time was determined to be 1.5 hours from a scaled down process that produced approximately 24 times more product than the process at hand (49). This scaling factor was multiplied by the hourly flow rate to yield a total consumption term. The cost of propane was $1.17 per US gallon.

Table 31 defines pertinent conversion factors. Importantly, the plant operated for 85% of the year or 7,446 hours of 8,750 per year. This is a typical value for a chemical process plant (45).


Table 31. Conversion table for utility summary.

Conversion Factors

Factor Value Units

Operating Time 0.85

Volumetric Conversion 264.172052 US gallons/m3

Density Water, 20oC 998.2 kg/m3

Hours in a Year 8760 h/yr

Operating Time 7446 h/yr

Table 32, the utility summary outline for the complete distillation process, presents the two process sections in tandem – first the solvent recovery section then the propane refrigeration section. The utility summaries by unit and in total for the toluene flash separation process are presented in Appendix E.

As previously discussed in the design section, distillation columns condensers and reboilers were not included in the heat integration network due to the anomalous energy demands. Instead, cooling water serviced the condensers and steam (low and medium pressure) serviced the reboilers.

Propane was the most cost-effective of viable refrigerants to service the five heat exchangers. The low latent heat capacity of water yielded a logarithmic mean temperature difference factor, FT, less than unity, which is not feasible for a shell-and-tube heat exchanger (50). The refrigerant, R-134a, was viable for heat exchange but entailed a prohibitive cost compared to that of propane. Using propane, cooling water was appropriate to condense the propane in preparation for heat exchange with the process.

The proper disposal of siloxanes is required for the deleterious effects on filter equipment oftentimes used in wastewater and waste stream treatment (51). This is done in accordance with the U.S. Clean Water Act of 1977 (23). In this way, the treatment costs of $0.15 per lb of siloxane removed of siloxane-containing waste streams were taken into account (23). On the other hand, the acetonitrile and toluene product streams, which also contained siloxane, were left untreated; the stream purities exceeded the specifications given in the project prompt.


Table 32. Utility summary for complete distillation process.

Mixer Utility Type Power Requirement

(kW)

Yearly Power Requirement

(kW-hr)

Unit Cost ($/kW-hr)

Annulized Utility Cost ($)

Mixer 1 (MIX-100) Electricity 1.00E-03 7.45 0.06$ 0.45$ Mixer 2 (MIX-101) Electricity 1.00E-03 7.45 0.06$ 0.45$ Mixer 3 (MIX-102) Electricity 5.00E-03 37.23 0.06$ 2.23$

Pump Utility Type Power Requirement

(kW)


(kW-hr)

Unit Cost ($/kW-hr)


Pump 1 (P-100) Electricity 0.402 2.99E+03 0.06$ 179.37$

Condenser Utility Type Volumetric Flow Rate

(m3/hr)

Yearly Volume Requirement

(m3)

Unit Cost

($/m3)


Condenser 1 (E-106) Cooling Water 4.50 3.35E+04 0.02$ 670.59$ Condenser 2 (E-107) Cooling Water 56.17 4.18E+05 0.02$ 8,364.84$ Condenser 3 (E-108) Cooling Water 14.85 1.11E+05 0.02$ 2,211.46$

Condenser Utility Type Mass Flow Rate

(kg/hr)

Yearly Mass Requirement

(kg)

Unit Cost ($/1000 kg)


Reboiler 1 (E-109) Steam, 50 psig 177.4 1.32E+06 3.00$ 3,962.76$ Reboiler 2 (E-110) Steam, 50 psig 1995 1.49E+07 3.00$ 44,564.31$ Reboiler 3 (E-111) Steam, 150 psig 638.7 4.76E+06 4.80$ 22,827.65$

Extractor Utility Type Volumetric Flow Rate

(gal/hr)

Yearly Volume Requirement (US Gallons)

Unit Cost ($/US Gallon)


Extractor (T-100) Process Water 96.60 7.19E+05 0.00075$ 539.45$

Waste Stream Wastewater TreatmentMass Flow Rate

(lb/hr)


(lb)

Unit Cost ($/lb organic

removed)


WasteWater Cooled Siloxane 10.803 8.04E+04 0.15$ 12,065.87$ SiloxaneCooledWaste Siloxane 8.9826 6.69E+04 0.15$ 10,032.67$

Utilities: Solvent Recovery System for Acetonitrile and Toluene with SiloxaneMixers

Pumps

Condensers

Reboilers


Waste Treatment


Compressor Utility Type Power Requirement

(kW)


(kW-hr)

Unit Cost ($/kW-hr)


Compressor 1 (K-100) Electricity 25.48 1.90E+05 0.06$ 11,383.44$


(kW)


(kW-hr)

Unit Cost ($/kW-hr)


Mixer 4 (MIX-103) Electricity 1.02 7.59E+03 0.06$ 455.70$

Cooling Fluid Utility Type Volumetric Flow Rate

(m3/hr)

Required Cooling Fluid

Volume (m3)

Unit Cost

($/m3)

Utility Fluid Purchase Cost

($)

Propane Refrigeration Fluid 102.8 154.2 375.12$ 57,844.17$


(m3/hr)


(m3)

Unit Cost

($/m3)


Condenser 4 (E-105) Cooling Water 6.05 4.50E+04 0.02$ 900.97$ 176,006.37$ 118,162.20$

Total Utilities Cost (First Year Startup)Total Utilities Cost (Second Year Operating and Onward)

Mixers

Utility Fluid

Condensers

CompressorsUtilities: Propane Refrigeration Cycle

The total utility cost of $176,000 represents the first-year start-up cost. Subsequent years will be $118,000 to reflect the previously-purchased and useful propane. The broader points of the economics are discussed in the forthcoming variable costs section.

Estimation of Capital Investment and Total Product Cost Rigorous economic analyses provided keen insight on process design and projected profit margins. All parameters were obtained from the course textbook, Seider’s Product Process and Design Principles, and from the course notes, compliments of Dr. Sani at 8 AM on Tuesdays and Thursdays. Analyses were completed in Dr. Zartman’s Economics2008_15_yr_Oct_08 macro-enabled Excel®, which was provided for Homework #9 on the CULearn course website. This spreadsheet will hereafter be referred to as the economics spreadsheet. There were minor disconnects and semantics between Seider and Zartman’s discussions of profitability; however, both outlines tout a 50% accuracy range. Rigorous profitability analyses were completed for both processes, and with break-even environmental impact, the final net cash flow of the complete distillation process proved to be more profitable.

Capital Investment The purpose of capital investment is to investigate the total capital investment (TCI). This value factored into the internal yielded the investor’s rate of return (IRR), net present value (NPV), and return of investment (ROI), which will be discussed in turn, to determine profitability. The net cash flow, the final calculation of the aforementioned factored, resolved the viability of building a grass-root plant to recover acetonitrile and toluene from three waste streams.


Cost Indices Also pertinent to determining the capital investment is the cost index to account for inflation.

These indices are applicable for a month or two and are then obsolete as progress charges onward. Here, the Chemical Engineering (CE) Plant Cost Index was used with an overall value of 521.9 from August 2009, which was the most current value (52). The cost index is used in determining the purchase cost in Equation 30.

Equation 30. Purchase cost adjustment with cost index. I was the current cost index, with a CE value of 521.9 from August 2009

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜 = 𝐵𝐵𝐼𝐼𝑆𝑆𝐼𝐼 𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜 �𝐼𝐼

𝐼𝐼𝐼𝐼𝐼𝐼𝑆𝑆𝐼𝐼�

This index accounts for the entire processing plant, including labor and materials of equipment fabrication, delivery, and installation.

Commodity Chemicals As aforementioned, the process used chemicals with market-sensitive prices that were used in the economic analyses. The prices and sources for the chemicals are shown in Table 33.

Table 33.Commodity chemical, prices, sources and market selling price for chemicals in the process

Chemical Cost per US Gal Source

Propane $ 1.17 (53)

Toluene $ 2.00 (54)

Acetonitrile $ 21.50 (55)

The toluene and acetonitrile prices in Table 33 were used in the economic analysis; the prices were provided by distributors at bulk prices. On the other hand, the propane price was a trading price set as the Mont Belvieu spot price, which provides approximately 40% of the national propane supply (56). To account for the distribution premium that includes pipeline transit, local transportation, storage, and overhead, it is common practice to add 25 cents to the spot price, thus the price used was $1.42 per US gallon.

Table 34 shows the current value of a cumulative product stream based on the flow rates and market values of acetonitrile and toluene.


Table 34. Current market value of cumulative product streams

With the price of $3.13 per kg in mind, cash flows were assessed at the minimum selling price and then compared to this market price.

Total Permanent Investment (TPI) The total investment cost (TPI) of the solvent recovery process in a grass-roots plant reflected a singular expense for the design, construction, and startup. As published in the course textbook from Busche, the TPI was composed of sixteen separate costs that covered the aforementioned expenses (57). The complete table is provided in Appendix E. In brief, any new project, including a grass-roots plant, has a TPI containing these cumulative costs with the take home message that there is never a free lunch. The Excel® spreadsheet Example_Economics2008_15_yr_Oct_08 provided values within the Venture Guidance Appraisal (VGA) that were beyond the scope of the course textbook and were cited as such (58). The ammonia plant process described in the course textbook on page 552 also provided estimates that were cited as such (23).

The following discussion outlines the methodology behind the VGA.

Bare-Module Cost Bare-Module Cost (BMC)/Direct Installed Cost (DIC) are reflected in the total bare-module

investment (TBM).The BMC may be primarily divided into process equipment and fabricated machinery within the VGA sheet within the economic spreadsheet with other assorted costs.

Process machinery was standard designs chosen from a vendor’s supply list, such as mixers, valves, compressors, and pumps, presented in Table 35.


Table 35. Process machinery with approximate costs

Unit Approximate Cost (k)

Mixers $ 9

Valves $ 5

Compressor $ 37

Pumps $ 4

Total Engineered Equipment/Purchased & Delivered $ 55

Associated costs of process equipment are presented in Table 36.

Table 36.Indirect costs associated with purchase and installation

Cost Percentage

(%) Associated Cost Source

Cost (k)

Misc Equipment 10 Total Engineered

Equipment/Purchased & Delivered

(58) $ 6

Subtotal/Purchased Equipment & Delivered $ 61

Field Material 5 Subtotal/Purchased

Equipment & Delivered

(58) $ 3

Labor 10 Subtotal/Purchased


(58) $ 6

Insulation 10 Subtotal/Purchased


(58) $ 6

Field Erected Equipment 0 Subtotal/Purchased


(58) $ 0


Equipment Foundations, Supports, Platforms 10

Subtotal/Purchased Equipment &

Delivered and Field Mtl/Labor/Insulation

(58) $ 8

Installed Equipment $ 85

Factored Piping 22 Installed Equipment (58) $ 19

Factored Instruments 9 Installed Equipment (58) $ 8

Factored Electrical 7 Installed Equipment (58) $ 6

No Identified Piping, Instruments, or Electrical 0 (58) $ 0

Subtotal, Direct Installed Cost $ 117

Labor Split 40 Subtotal, Direct Installed Cost

(58) $ 47

Material Split 60 Subtotal, Direct Installed Cost

(58) $ 70

Freight, Quality Assurance, Sales Taxes 12 Material (58) $ 8

Contractor Labor Distributives 44 Labor (58) $ 21

Subtotal (Direct Installed Cost + Indirect Freight, QA, Taxes, & Overhead $ 168

Engg+Home Office (Additional Indirect) 15

Subtotal (Direct Installed Cost +

Indirect Freight, QA, Taxes, & Overhead

(58) $ 22

Subtotal (DIC Equipment Calculated from Bare Module using PE $ 168

Fabricated machinery is specific to the process at hand, such as a heat exchanger, liquid-liquid extractor, and distillation column. These unit operation costs contain a module cost to account for the piece of equipment and the installation, including piping to and from, concrete foundation, ladders and other supporting structures, instruments, controllers, lighting, electrical wiring, insulation, and panting. This factor also assumed free on board (f.o.b.) delivery where the purchase cost did not include the price of delivery to the plant site. The complete purchasing cost calculations are provided in Appendix C.

The bare-modules used here in Table 37 were obtained from Guthrie (59).


Table 37. Bare-module factors for process to account for design costs above those encountered in purchasing process machinery

Unit PE Cost

($k) Bare-Module Factor (FBM)

Bare-Module Cost (k)

Distillation Columns 409 4.16 $ 1,701

Liquid-Liquid Extractor 8 4.16 $ 34

Heat Exchangers (Double Pipe) 16 1.8 $ 28

Heat Exchangers (Shell and Tube) 10 3.17 $ 31

Subtotal (DIC from Total Bare Module Cost w/FBM Factors) $ 1,794

Associated costs of fabricated equipment are presented in Table 38.

Table 38. Fabricated equipment associated miscellaneous cost

Cost Percentage (%) Associated Cost Source Cost (k)

Miscellaneous Equipment 10 Subtotal (DIC from Total Bare Module Cost w/FBM Factors)

(58) $ 179

Subtotal (DIC Equipment from Bare Module Costs) or Subtotal (DIC Equipment Costs) $ 2,142

Purchase costs were estimated using the Excel® spreadsheet Formated cost eqns Basis CE500 Oct 2008, which was provided for Homework #9 on the CULearn course website. All unit operating parameters aligned with or were below the prescribed ranges and the purchase costs were adjusted to the current CE index. Furthermore, the process yielded a diminutive combined product flow rate of the acetonitrile and toluene streams of 506 kg/hr or 3.77E6 kg/yr. For these reasons, the economy-of-scale did not affect the process.

Site Preparation Site preparation included land surveys, dewatering and drainage, surface clearing, rock blasting,

excavation, grading, and piling Seider, Seader, Lewin, & Widago, 2009). Upon construction, fencing, roads, sidewalks, railroad sidings, sewer lines, fire protection facilities, and landscaping were also included in this cost. The grass-roots nature of the process augmented site preparation costs in the economic spreadsheet, as shown in Table 39.


Table 39. Site preparation for a grass-roots plant


Buildings, Structure 20 Subtotal (DIC Equipment Costs) (58) $ 428

Subtotal $ 2,570

Service Facilities Service facilities included utility lines, control rooms, laboratories for quality control,

maintenance shops, and other buildings (Seider, Seader, Lewin, & Widago, 2009). For the grass-roots process at hand, administrative offices, medical facilities, cafeterias, garages, and warehouses were also needed, as shown in Table 40.

Table 40. Service facilities for a grass-roots plant


Power, General, & Services (PG&S)

2 Subtotal (58) $ 51

Dismantling & Rearranging (D&R)

2 Subtotal (58) $ 51

Site Development 15 Subtotal Grass-roots (10-20%)

(23) $ 386

Subtotal (DPI) $ 3,058

Contingencies and Contractor’s Fee Contingencies and contractor’s fee were unanticipated costs incurred during construction that

were augmented from 15% of DPI to 35% for a student team design (23), as shown in Table 41.


Table 41. Contingencies and Contractor’s Fee for grass-roots plant


Contingency 35 Subtotal (DPI) Student design team

(45) $ 1,070

Subtotal $ 4,129

Working Conditions 3 Subtotal

Contractor’s Fees useful estimate

(45)

$ 0

Net Total $ 4,178

Minor Changes, Field Indirects, Spares and Portables

0 Subtotal (58) $ 0

Direct Total $ 4,178

Total Equipment, Total (Current USGC) $ 4,178

Investment Site Factor The investment site factor, FISF, accounted for the nuances of location, such as availability of

labor, the efficiency of the workforce, local rules and customs, and union status among other contributing factors (23). The proposed plant operating site is Leominster, MA in the U.S.A. Northeast with a FISF of 1.10, thus augmenting the total permanent investment. Equation 31 shows how the site affects the total permanent investment.

Equation 31. Corrected total permanent investment to account for building and operating in U.S.A. Northeast with a FISF of 1.10

𝐶𝐶𝑇𝑇𝑃𝑃𝐼𝐼𝑜𝑜𝑜𝑜𝑆𝑆𝑆𝑆𝐼𝐼𝑜𝑜𝑜𝑜𝐼𝐼𝑑𝑑 = 𝐹𝐹𝐼𝐼𝑆𝑆𝐹𝐹𝐶𝐶𝑇𝑇𝑃𝑃𝐼𝐼

Table 42 illustrates the contribution of the site factor to total cost.


Table 42. Site factor for plant operating in the U.S.A. Northeast (FISF=1.10) (23)


Site Factor 100 Total (Current USGC) U.S.A Northeast (1.10)

(23) $ 4,178

Inflation Inflation is change in value of currency over time and serves as predictive measure for the long-

term viability of the process. Seeing as depreciation allowances are not adjusted for inflation, an inflation analysis is required. Furthermore, revenues and costs increase with inflation, causing gross earning to increase and a higher income tax. Average inflation rates for pertinent goods are shown in Table 43.

Table 43. Average inflation rates

Cost Inflation (%)

Raw materials and price of products 2.5

Utilities 2.5

Processing Equipment 2.5

Hourly labor 3.0

Average 2.625

The effect of inflation according to Equation 32 on the process is shown in Table 44.

Equation 32.Inflation calculation

𝐹𝐹 = 𝑃𝑃(1 + 𝑅𝑅)𝐼𝐼

Where F is future worth, P is corrected CTPI, i is inflation rate, and n is number of years.


Table 44. Inflation table with average inflation rates


Inflation 2.625 for 1 year Total (Current USGC) (23) $ 4,596

Scope Growth 0 Inflation (58) $ 0

Total Project-Level Cost $ 4,717

GRAND TOTAL (TPI) $ 4,700

TPI Comparison This TPI is a reasonable value according to the ammonia plant example in the course, scaled

appropriately for a grass-roots construction in the USA Northeast, rather than an integrated complex in the USA Midwest. The following discussion shows these calculations.

Equation 33. Economy-of-scale with the “six-tenths-rule” comparing TPI in $k and capacities in lb/yr (23)

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜2

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜1= �

𝐶𝐶𝐼𝐼𝑝𝑝𝐼𝐼𝑜𝑜𝑅𝑅𝑜𝑜𝐶𝐶2

𝐶𝐶𝐼𝐼𝑝𝑝𝐼𝐼𝑜𝑜𝑅𝑅𝑜𝑜𝐶𝐶1�

0.6

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼𝐼𝐼𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝐼𝐼𝑅𝑅𝐼𝐼

= �𝐶𝐶𝐼𝐼𝑝𝑝𝐼𝐼𝑜𝑜𝑅𝑅𝑜𝑜𝐶𝐶𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼 𝐼𝐼

𝐶𝐶𝐼𝐼𝑝𝑝𝐼𝐼𝑜𝑜𝑅𝑅𝑜𝑜𝐶𝐶𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝐼𝐼𝑅𝑅𝐼𝐼�

0.6⟹

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼𝐼𝐼$215,000

= �1𝑆𝑆6 𝐼𝐼𝐼𝐼/𝐶𝐶𝑆𝑆1𝑆𝑆9 𝐼𝐼𝐼𝐼/𝐶𝐶𝑆𝑆

�0.6

⟹ 𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼𝐼𝐼 = $𝟑𝟑,𝟒𝟒𝟒𝟒𝟒𝟒

Correcting for grass-roots construction with a 20% site development cost versus the comparable cost for an integrated complex of 3% for a 17% difference and scaling a Midwest site factor of 1.15 to a Northeast value of 1.10 for a -5% difference. Equation 33 shows the contribution of the primary differences between the two processes.

Equation 34. Adjusted accepted TPI for the process factoring in site development and site factors variables

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼𝐼𝐼 = $3,400 × 𝑆𝑆𝑅𝑅𝑜𝑜𝐼𝐼 𝐷𝐷𝐼𝐼𝑅𝑅𝐼𝐼𝐼𝐼𝑜𝑜𝑝𝑝𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜 × 𝑆𝑆𝑅𝑅𝑜𝑜𝐼𝐼 𝐹𝐹𝐼𝐼𝑜𝑜𝑜𝑜𝑜𝑜𝑆𝑆 = $3.4𝑆𝑆3 × 1.17 × 0.95 = $𝟑𝟑,𝟗𝟗𝟒𝟒𝟒𝟒

This cost reflects a 2006 present value, whereas the TPI for the process entails a 2009 present. Equation 35 shows the correction for inflation at a rate of i=2.625% per year, from above.

Equation 35. TPI corrected for inflation from 2006 to 2009 with a rate of 2.625 per year

𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼𝐼𝐼 ,2009 = 𝐶𝐶𝑜𝑜𝑆𝑆𝑜𝑜𝑆𝑆𝑅𝑅𝐼𝐼𝑜𝑜𝑥𝑥𝐼𝐼𝐼𝐼𝐼𝐼 (1 + 0.02625)1 = $𝟒𝟒,𝟒𝟒𝟒𝟒𝟒𝟒

The TPI from the present analysis was $4,700. Therefore, the percent difference between the experimental value of $4,700 for the process versus the accepted value of $4,000 for the scaled-down published value is shown in Equation 36.


Equation 36. Percent error calculation demonstrating reasonability of the process in comparison to a published process

%𝑆𝑆𝑆𝑆𝑆𝑆𝑜𝑜𝑆𝑆 =𝑆𝑆𝑥𝑥𝑝𝑝𝐼𝐼𝑆𝑆𝑅𝑅𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜𝐼𝐼𝐼𝐼 − 𝐴𝐴𝑜𝑜𝑜𝑜𝐼𝐼𝑝𝑝𝑜𝑜𝐼𝐼𝑑𝑑

𝐴𝐴𝑜𝑜𝑜𝑜𝐼𝐼𝑝𝑝𝑜𝑜𝐼𝐼𝑑𝑑=

$4,700− $4,000$4,000

= 𝟏𝟏𝟏𝟏%

A percent difference of 18% is reasonable seeing as the methods are accurate to within 30%.

Working Capital (WC) Working capital funds covered expenses incurred in during the startup period before a profit was realized, i.e. year five. These expenses included cost if inventory and funds to cover accounts receivable and the value are shown in Table 45.

Table 45.Working capital


Start-Up Spare Parts 10 GRAND TOTAL (TPI) Typical Estimate

(45) $ 470

Operating Cost The total annual cost of manufacture (COM) reflected the sum of (1) direct manufacturing

stocks: utilities; (2) operating overhead: labor-related operations and maintenance; and (3) fixed costs: property taxes, insurance, and depreciation.

Variable Cost Utilities were assessed on a consumption basis. The itemized list may be referenced in Table 46.

Table 46 provides a summary of the utilities for the complete distillation process.

Table 46. Cumulative utility summary for the complete distillation process

Utility Type Total Cost per year ($)Electricity 26.91 Kw-hr 2.00E+05 Kw-hr 12,021.64$

Cooling Water 81.57 m3 6.07E+05 m3 12,147.85$

Process Water 96.5976 gal 719265.7296 gal 539.45$ Propane 102.80 m3 154.20 m3 57,844.17$

Steam, 50 psig 2172.40 kg 1.62E+07 kg 48,527.07$ Steam, 150 psig 638.7 kg 4.76E+06 kg 22,827.65$

Waste Water Treatment 19.79 lb 1.47E+05 lb 22,098.54$ 176,006.37$ 118,162.20$

Total Consumption per hour Total Consumption per year


The annual consumption costs reflect the expenses described in the utilities sections. As will be shown in the profitability analysis section, these costs are reasonable and competitive. The variable costs on the economic spreadsheet were defined as units of ingredient per kilograms of product for


purposes of the macro. Thus, the subtotal of utilities was $0.031 per kg of product. The total variable cost of $118,000 per year aligned with the method described above for accounting for the one-time capital expense of propane. This factor will be discussed in further detail in the cash flow analysis. Siloxane was treated as waste; however, as discussed earlier, there are opportunities for further siloxane purification and subsequent sales.

Fixed Cost Labor-related operations account for the lab hours required to produce the annual capacity. Annual wages were assessed at the hourly scale for plant operators and at the annual salary scale for technical assistance and control laboratory operators.

Operating Labor and Benefits Admittedly, plant operator requirements were difficult to estimate. Therefore, the process was

divided into four fluids processing sections, each with a single operator requirement that varied based on unit multiplicity (23). The annual capacity of the process was one-half ton per day, thus one operator per section may be superfluous. This may be another case of the reverse effect of the economy-of-scale.

Table 47 outlines the operating and pay parameters for a 24-hour, seven days a week schedule. The required number of weekly shifts is 4.2; however, this figure was rounded up to 5 shifts per were due to illness, vacations, holidays, training, special assignments, and overtime during startups (23).

Table 47. Labor-related operations parameters used to calculate fixed costs

The process sections were:

• Liquid-liquid extractor

o Mixer and liquid-liquid extractor

• Toluene Recovery

Labor-Related Operations Parameters

Plant operation 7 dy/wk

Plant operation 24 hr/dy

Plant operation 168 hr/wk

Full-time workforce 40 hr/(wk-operator)

Required shifts 4.2 shifts/wk

Rounded up required shifts 5 shifts/wk

Hourly wage for operators $ 35.00 /operator-hr

Full-time workforce 40 hr/wk

Full-time pay 52 wk/yr

Full-time pay 2080 hr/yr


o Mixer, distillation column, and two heat exchangers

• Acetonitrile recovery

o Mixer, two distillation columns, three heat exchangers, two pumps, and pump

• Refrigeration cycle

o Mixer, compressor, heat exchanger, valve, and tee

Table 48 illustrates the operator assignments and total labor-related annual cost. The expenses herein included technical assistance to manufacturing with an annual salary of $60,000 and the control laboratory with an annual salary of $65,000 each at one operator per shift for five in each and ten in total (23).

Table 48. Operator assignments for a continuous fluids processing operation

The economic spreadsheet contained other fixed costs that are cited in Table 49.

Process Section Units Operators per Shift

Shift Operators

Expense (k) Notes

Liquid-Liquid Extractor 2 1 5 $ 364

Toluene Recovery 4 1 5 $ 364

Acetonitrile Recovery 9 2 15 $ 728

Refrigeration Cycle 5 1 5 $ 364

Annual DW&B 20 5 25 $ 1,820

Plant operator annual wage $72.8

Direct salaries and benefits $ 273 15% of Annual

DW&B

Operating supplies and services $ 109.2 6% of Annual DW&B

Technical assistance operators to manufacturing 5 1 operator/shift

Annual wage $ 60 /(operator/shift)-yr

Technical assistance to manufacturing $ 300

Control laboratory operators 5 1 operator/shift

Annual wage $ 65 /(operator/shift)-yr

Control laboratory $ 325

Total labor-related operations annual cost (O) $ 2,827.2


Table 49. Operating labor and benefits on complete distillation process


Employee Benefits 15 Wages (23) $ 273

Operating Supervision $300𝑘𝑘

$1,820𝑘𝑘= 16.5% Wages (23) $ 300

Subtotal operating labor $ 2,393

Operating Supplies 6 Wages (23) $ 109

Maintenance Maintenance is required to keep all processing equipment in acceptable working order. This requires spares and parts represented by material and labor. Table 50 outlines the expenses related to maintenance. Maintenance labor is best utilized during the down time, here 15% of the year. The purpose of this labor is to clean heat exchangers to curtail fouling, lubrication and replacement of mechanical seals in pumps, compressors, and mixers (23).

Table 50. Maintenance on complete distillation process


Total maintenance 3.5 Investment (23) $ 165

Maintenance labor 25 Total maintenance (23) $ 41

Maintenance material 100 Total maintenance (23) $ 165

Overhead Overhead costs are non-plant operational expenses. Instead, these costs account for cafeteria; employment and personnel; fire protection, inspection, and safety; first aid and medical; industrial relations; janitorial; purchasing, receiving, and warehousing; automotive and other transportation; and recreation. These costs are categorized into four sections that sum to the general overhead cost as shown in Table 51. Employee appreciation mantivities are included in the recreation cost within the business services expense (60).


Table 51. Overhead on complete distillation process


General plant overhead 7.1 - - -

Mechanical department 2.4 - - -

Employee relations department 5.9 - - -

Business services 7.4 - - -

General Overhead 22.8 Investment (23) $ 493

Lab and technical support $325𝑘𝑘

$4,700𝑘𝑘= 6.9% Investment (23) $ 325

Corporate Overhead Corporate overhead costs cover sales and administration expenses to ensure that acetonitrile and toluene earn a fair market price. Additionally, investments are made in research and development to maintain a competitive edge and improve efficiencies. The salary of the proposed CEO, Mr. Wolff MS, is included in this category. These expenses are outlined in Table 52.

Table 52. Corporate overhead on complete distillation process


Sales and administration 2 Investment (23) $ 94

Research and development 4.8 Investment (23) $ 235

Subtotal corporate overhead 329

Insurance and Local Taxes Annual property taxes are levied by the Leominster, MA municipality separate from those from the Internal Revenue Service (IRS) (23). With a population of 41,000 people in an area of 28.9 square miles, Leominster has mid-range population density of 1,430 people per square mile for a local tax of 2% on the investment (23). Insurance is assessed based on pressure and temperature levels of plant operations. The use of hazardous materials may also augment the insurance cost. In this way, the process mostly operated at atmospheric pressure and ambient temperatures with the maximums being 10atm and 130oF, respectively, for an insurance rate of 1% on the investment.


Table 53.Insurance and local taxes assessed annually


Insurance and local taxes 3 Investment (23) $ 141

Royalties 0 Per kg annual capacity $ 0

Depreciation 0 Investment (58) $ 0

Total fixed cost (for ROI calculations) ($1.05 per kg) $ 3,955

Royalties are null for this process seeing as there were no known intellectual property infringements. Likewise, the total fixed cost was used in the cash flow calculation; therefore, depreciation was not assessed. Nevertheless, typical values are 8% of total depreciable capital for a 12-year plant life.

Profitability Analysis Suffice it to say that profitability was the crux of process selection. There were two competing factors in the final selection of the complete distillation process. The first factor was assessing the need for solvent recovery by a company like Veolia. The high cost of commodity chemicals like toluene and especially acetonitrile compelled the investigation of a new process for solvent recovery. The second factor was whether the lower capital cost of the toluene flash separation would behoove the process over the 15-years of plant operation. These factors will be discussed in turn.

Profitability Firstly, Table 54 shows the high annual cost of solvent removal at a price of $0.15 per pound of

organic removed.

Table 54. Solvent Removal.

Feed Streams A B CMass Flow Rate

(lb/yr)4.42E+06 9.83E+05 3.28E+06

Annual Cost of Solvent Removal

($0.15/lb organic)663,438.60$ 147,430.80$ 491,436.00$

1,302,305.40$ Total Annual Cost of Solvent Removal

The annual cost to the upstream process to treat unusable solvent waste streams served as a benchmark for payback period of the new processes.


Secondly, the cash flow analysis sheet within the economic spreadsheet was used to select the final project design. Here, there were numerous parameters that generated an ultimate selling price. This unchartered territory of finance was diligently mapped and the background and results are presented here.

Cost of Capital Fittingly, the cost of capital is an annual discount rate that reflects the cost of borrowing. Therefore, the cost of capital is equal to the lender’s required return on investment.

Net Present Value Net present value (NPV) gives the value of an investment by using a discount rate and a series of future payments and income. Equation 37 gives the definition of NPV.

Equation 37. Net present value using cost of capital rate.

𝑁𝑁𝑃𝑃𝑉𝑉 = �𝑅𝑅𝐼𝐼𝐼𝐼𝑂𝑂𝐼𝐼𝑆𝑆𝑅𝑅

(1 + 𝑆𝑆𝐼𝐼𝑜𝑜𝐼𝐼)𝑅𝑅

𝐼𝐼

𝑅𝑅=1

Here, the rate was the cost of capital was the rate, values were net cash flow, and inflation, i, was 2.625%, as previously described. Each component of the summation represents one discounted cash flow. The NPV is sensitive to changing interest rates due to the exponential denominator.

Investor’s Rate of Return The investor’s rate of return is the interest rate that yields a net present value of zero based on payments and income that occur at regular periods, i.e. yearly. This is an iterative process to yield the value, 𝑁𝑁𝑃𝑃𝑉𝑉{𝑆𝑆} = 0. The Excel® function requires a guess that is close to the expected IRR. The macro breaks down if the guess is too far astray.

Return on Investment The return on investment (ROI) is the annual interest rate made by the profits of the original investment. Equation 38 gives the broad definition of ROI (23).

Equation 38. ROI definition

𝑅𝑅𝑂𝑂𝐼𝐼 =𝐼𝐼𝐼𝐼𝑜𝑜 𝐼𝐼𝐼𝐼𝑆𝑆𝐼𝐼𝑅𝑅𝐼𝐼𝑒𝑒𝑆𝑆

𝑜𝑜𝑜𝑜𝑜𝑜𝐼𝐼𝐼𝐼 𝑜𝑜𝐼𝐼𝑝𝑝𝑅𝑅𝑜𝑜𝐼𝐼𝐼𝐼 𝑅𝑅𝐼𝐼𝑅𝑅𝐼𝐼𝑆𝑆𝑜𝑜𝐼𝐼𝐼𝐼𝐼𝐼𝑜𝑜

This is a profitability measurement that does not account for the size of the venture. In other words, it may behoove a large company with hefty capital to invest in a separate solvent waste recovery process. Whereas the large company possesses the capital to minimize loans and earn a greater ROI, the smaller venture must borrow and realize a smaller ROI to account for the loan payments. Here, the third year, the first year of full operating capacity serves as the benchmark for the ROI.


Payback Period The payback period (PBP) is the time required for the annual earnings to equal the original investment, as defined by the total depreciable capital divided by the cash flow. PBP is widely used to compare alternatives but not make final decision due to the inability to account for plan operation after the PBP.

Depreciation Depreciation is a tax shield in that a company may treat depreciation as a cost of production.

This cost is the decline of the book value of each piece of capital equipment with time, thereby reducing income tax liability although there is no representative cash outflow from the company. In this way, the age-old manta that “a dollar today is more valuable than a dollar tomorrow” supports the notion to wisely invest in a process today with the intent to reap the profits tomorrow (61). The analysis used Modified Accelerated Cost Recovery System (MACRS) on a five-year schedule, as shown in Table 55.

Table 55. MACRS Tax-Basis Depreciation

Percent of total depreciable capital (CTDC)

Year 5 Year

1 20.00 2 32.00 3 19.20 4 11.52 5 11.52 6 5.76

Total 100.00

MACRS is an initially accelerated depreciation model to allow companies to recoup a greater percentage of capital investment, compared to straight-line depreciation which is calculated by dividing the fixed costs by the number of years of operation (23).

Salvage Percent Salvage percent is the value of the capital equipment at the end of the plant lifetime as a percentage of the initial investment. A value of zero percent means that there is no worth to the equipment upon plant retirement.

Accounts Receivable Accounts receivable are cash reserves to cover operating costs while the plan waits for customers to fulfill obligation for product sales. This accounts for 8.33% of the annual sales of all products.


Corporate Income Tax Current corporate income tax rate for companies making between $300k and $10m is 34% (62).

Cash Flow Analysis and Comparison of Alternate Designs The lifetime of the plan for solvent recovery was 15 years with one initial design and two

construction years. The cash flows of both processes were generated using parameter is Table 56 and juxtaposed in Figures 21-22.


Table 56. Profitability comparison of the alternative processes

Input Complete Distillation Flash Toluene Separation Source (if applicable)

Cost of Capital (%) 15 15 (23)

Inflation of all Costs (%) 2.625 2.625 (23)

Inflation to Selling Price of Product (%)

2.5 2.5 (23)

Accounts Receivable (dys) 30 30 (23)

Income Tax (%) 34 34 (62)

Land $ 0 $ 0 (10)

Total Capital Cost (k) $ 4,700 $ 4,000

Salvage Percent (%) 0 0 (58)

After-Tax Real IRR (%) 10.0 10.0 (10)

Output Complete Distillation Flash Toluene Separation

Minimum Selling Price (/kg)

$ 1.66 $ 1.58

Salvage Value (k) $ 0 $ 0

NPV (Cash Flows at End of Each Period) (k)

$ 1,169 $ 1,018

NPV (Cash Flows at Beginning of Each Period)

(k) $ 1,345 $ 1,171

ROI (%) 15.0 15.4

Payback Period (yrs) 6.7 6.5

Capital Investment (including Working

Capital) (k/yr) $ 5,875 $ 4,865

Net Profit (k) $ 7,401 $ 6,467


The three pertinent comparisons were drawn from the ROI, payback period, and net profit. Whereas the ROI and payback period are initial estimators for profitability, the net profit shows the potential over the course of the plant lifetime. For this reason, the complete distillation process was chosen over the flash separator for the gain of $934k over the plant time.

The cash flows of the two processes are compared in Figures 21-22.

Figure 21. Cash flow for the complete distillation process with an IRR of 10%.


Figure 22. Cash flow for the toluene flash separation process with an IRR of 10%.

The negative cash flows in during the first four years represent the cost of design, construction, and working capital. The cash flows become positive in 2012 upon production at 75% capacity and then increase as capacity jumps to 85%. This increase in capacity reflects the progress of the manufacturing team as unforeseen nuances are resolved.

Profitability of Other Cases The profitability of other IRR cases were investigated to demonstrate options for aggressive versus conservative payback periods.

The first case was an IRR of 15%. The cash flow may be referenced in Figure 23.


Figure 23. Cash flow for complete distillation process with an IRR of 15%

The second case was an IRR of 20%. The cash flow may be referenced in Figure 24.


Figure 24. Cash flow for complete distillation process with an IRR of 20%

Table 57 displays the outputs for the two IRR investigations.


Table 57. Comparisons of three different IRR cases

Output IRR 10% IRR 15% IRR 20%

Minimum Selling Price (/kg)

$ 1.66 $ 1.81 $ 1.97

NPV (Cash Flows at End of Each Period) (k)

$ 2,751 $ 5,846 $ 9,476

NPV (Cash Flows at Beginning of Each Period)

(k)

$ 2,875 $ 6,109 $ 9,903

ROI (%) 15 20.1 26.1

Payback Period (yrs) 6.7 5.0 3.8


Capital) (k/yr)

$ 5,875 $ 5,917 $ 5,967

Net Profit (k) $ 7,401 $ 12,503 $ 18,487

An increase in the IRR decreased the payback period by increasing the minimum selling price. The validity of these investigations is subject to market demand for acetonitrile and toluene. Promising investor’s a 20% rate of return is aggressive and most likely beyond the scope of this process seeing as numerous firms are endeavoring to conserve and recover acetonitrile.

The third profitability analysis examines the cash flow potential if the product were sold at current market prices of $2.00 per US gallon for toluene and $21.50 per US gallon for acetonitrile for a cumulative value of $3.13 per kg.

Figure 25 shows the projected cash flow of the process at this market selling price.


Figure 25. Cash flow projection at market selling price.

Table shows the economic outputs for a market selling price.

Table 58. Potential Process Profit.

Case Selling Price (/kg)

NPV (Cash Flows at End of Each

Period) (k)

NPV (Cash Flows at

Beginning of Each Period)

(k)

ROI (%)

Payback Period (yrs)


Capital) (k/yr)

Net Profit (k)

10% IRR $ 1.66 $ 2,751 $ 2,875 15 6.7 $ 5,875 $ 7,401

Market Price

$ 3.13 $ 35,083 $ 36,662 65.4 1.5 $ 6,319 $ 60,701

Difference $ 1.47 $ 32,332 $33,787 50.4 -5.5 $ 444 $ 53,300

Table 58 illustrates the potential of the process to earn greater profits so long as the demand for the solvent products stays constant or increases. Nevertheless, without this solvent recovery process, there would be a $1.3m solvent treatment expense, as seen Table 58. In this way, a comparison may be drawn by comparing opportunity costs by not building a treatment facility with this process.


Sensitivity Analysis Sensitivity analyses demonstrate the strength of the process in the face of changing variables. All analyses were performed the base parameters of 10% IRR and minimum selling price.

Present ROI and IRR for a +/- 25% Variation in TPI The sensitivity analysis of a ±25% variation in TPI on ROI and IRR is shown in Figure 26.

Figure 26. Variation in TPI with respect to ROI and IRR for a 10% IRR

Figure 26 demonstrates that both the ROI and the IRR non-linearly decrease with an increasing TPI. Taken individually, the negative slope of the ROI suggests that a greater TPI results in less return. Therefore, a management decision must be made to set a goal for the third year profits. Although both slopes are negative, the interpretations connote a different operation approach. For the IRR, a greater TPI lowers the IRR, thus reflecting a more positive NPV. In other words, a greater capital investment augments profit potential over the course of the plant lifetime. Therefore, it is clear that the process economics favor construction; however, it is a management decision regarding third-year ROI whether to move forward with the plant.

Present ROI and IRR for a +/- 25% Variation in Fixed Operating Cost The sensitivity analysis of a ±25% variation in TPI on ROI and IRR is shown in Figure 27.


Figure 27. Variation in fixed costs with respect to ROI and IRR for a 10% IRR

The interpretation of these analyses follows the same reasoning as for variations in TPI. However, here both relationships are linear and the lines intersect. As seen in Equation 38, fixed costs comprise the denominator in the ROI calculation, thus increasing fixed costs, i.e. hiring more operators, decreases ROI; there is no variable for worker efficiency and output. On the other hand, IRR provides a scope of the plant lifetime, and it stands to reason that more operators, for example, would enhance efficiency and output, thus increasing NPV and decreasing IRR. The intersection point denotes the point at which fixed costs become prohibitive according to the third year profits in ROI. Therefore, operating at less than $4,500 for fixed costs may be a common management decision.

Conclusion The purpose of this endeavor to investigate the feasibility of a solvent recovery process for

toluene and acetonitrile was achieved. Worldwide acetonitrile shortages and the pursuit of engineering insight motivate this project. Safety and environmental concerns are reasonable and practicable through adherence to local and federal requirements. Two complete designs differing in the manner of toluene recovery were generated and assessed for profitability. Both designs converged with balanced material and energy streams. Both designs are capable of producing product streams on specification with ±10% changes in flow rates and ±10% changes in mass fraction compositions of the feed streams. All units comprising the processes were designed and specified via cited physical properties and assumptions. Neither of the processes presents glaring difficulties of manufacture. An integrated propane refrigeration cycle for the five heat exchangers reduces utility costs while not changing fixed costs. The variable costs comprise a reasonable fraction of operating costs, as discerned by comparison to


functioning processes. It was determined that 25 operators working over five shifts with appropriate supervision and control laboratory assistance are capable of generating a profit with competitive ROI and IRR values. A rigorous profitability analysis of both designs determined that complete distillation for both solvent recovery edges out the alternative design of flash toluene separation. The analysis used cited parameters for each variable; nevertheless, these approaches are accurate to 50%. In this way, the ultimate decision selection relies on the nuances of investment. For example, ROI and payback period are better for flash separation but the net profit over the lifetime of the plant is better for complete distillation. Sensitivity analyses of the complete distillation process align with theory. Furthermore, the analyses revealed that the process is profitable with constraints. Importantly, the economic analyses do not account for the cost of waste stream treatment, over $1.3m annually, if the solvent recovery plant at hand is not built.


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Appendix A: Nomenclature

Acronyms

Acronym Stands For

BCF Bioconcentration Factor

BMC Bare-Module Cost

CE Chemical Engineering Plant Cost Index

cGMP Current Good Manufacturing Practice

COM Cost of Manufacture

DIC Direct Installed Cost

EPA Environmental Protection Agency

f.o.b. Free on Board

FDA Food and Drug Administration

HETP Height Equivalent of Theoretical Plate

HILIC Hydrophilic Interaction Liquid Chromatography

HPLC High Pressure Liquid Chromatography

IRR Investor’s Rate of Return

IRS Internal Revenue Service

LLE Liquid-Liquid Extractor

MACRS Modified Accelerated Cost Recovery System

MSDS Material Safety Data Sheets

NFPA National Fire Protection Association

NPV Net Present Value

PBP Payback Period

PDMS Polydimetylsiloxanes

PFD Process Flow Diagram

PPE Personal Protective Equipment

RCRA Resource Conservation and Recovery Act

RDC Rotating-Disc Contactor

ROI Return on Investment

TBM Total Bare-Module Investment

TCI Total Capital Investment

TEMA Tubular Exchanger Manufacturers Association

TPI Total Permanent Investment

VGA Venture Guidance Appraisal

WC Working Capital


Appendix B: Chemical Information

Acetonitrile

1. Product Identification

Synonyms: Methyl Cyanide; Cyanomethane; Ethanenitrile; Ethyl nitrile CAS No.: 75-05-8 Molecular Weight: 41.05 Chemical Formula: CH3 CN Product Codes: J.T. Baker: 9011, 9012, 9017, 9018, 9019, 9020, 9021, 9023, 9035, 9120, 9151, 9152, 9255, 9366, 9821, 9829, 9853, A691, XL-318 Mallinckrodt: 0043, 2442, 2856, 2859, 6936, H076, H454, V070, XLK-011

2. Composition/Information on Ingredients

Ingredient CAS No Percent Hazardous --------------------------------------- ------------ ------------ --------- Acetonitrile 75-05-8 99.8 - 100% Yes Acrylonitrile 107-13-1 < 0.001% No

3. Hazards Identification

Emergency Overview -------------------------- DANGER! MAY BE FATAL IF SWALLOWED, INHALED OR ABSORBED THROUGH SKIN. AFFECTS CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM, LIVER AND KIDNEYS. FLAMMABLE LIQUID AND VAPOR. MAY CAUSE IRRITATION TO SKIN, EYES, AND RESPIRATORY TRACT. SAF-T-DATA(tm) Ratings (Provided here for your convenience) ----------------------------------------------------------------------------------------------------------- Health Rating: 3 - Severe (Life)


Flammability Rating: 3 - Severe (Flammable) Reactivity Rating: 1 - Slight Contact Rating: 3 - Severe (Life) Lab Protective Equip: GOGGLES & SHIELD; LAB COAT & APRON; VENT HOOD; PROPER GLOVES; CLASS B EXTINGUISHER Storage Color Code: Red (Flammable) ----------------------------------------------------------------------------------------------------------- Potential Health Effects ---------------------------------- In most cases, cyanide poisoning causes a deceptively healthy pink to red skin color. However, if a physical injury or lack of oxygen is involved, the skin color may be bluish. Reddening of the eyes and pupil dilation are symptoms of cyanide poisoning. Cyanosis (blue discoloration of the skin) tends to be associated with severe cyanide poisonings. Inhalation: Effects of overexposure are often delayed, possibly due to the slow formation of cyanide anions in the body. These cyanide anions prevent the body from using oxygen and can lead to internal asphyxiation. Early symptoms may include nose and throat irritation, flushing of the face, and chest tightness. Higher concentrations may produce headache, nausea, vomiting, respiratory depression, weakness, blood changes, thyroid changes, irregular heartbeat, abdominal pain, convulsions, shock, unconsciousness and death, depending on concentration and time of exposure. This highly toxic material has insufficient warning properties to prevent personnel from working in contaminated atmospheres. Ingestion: Gastric irritation may occur. Other symptoms parallel those from inhalation exposure. Skin Contact: May cause irritation. May be absorbed through skin with health effects to parallel those of inhalation. Eye Contact: Splashes may cause eye irritation with redness and pain. Chronic Exposure: Long term exposures may affect liver, kidneys, and central nervous system. Aggravation of Pre-existing Conditions: Workers using cyanide should have pre-placement and periodic medical exams. Those with history of central nervous system, heart or lung diseases, or liver, kidney, or thyroid problems may be more susceptible to the effects of this substance.

4. First Aid Measures


FOLLOWING ANY ROUTE OF EXPOSURE GET MEDICAL ATTENTION IMMEDIATELY. SERIOUS TOXICITY IS PRECEDED BY VOMITING IN MOST CASES OF ORAL INGESTION. Although used in pre-hospital management of cyanide poisoning, amyl nitrite inhalants have not been shown to be beneficial in managing acetonitrile poisoning. Inhalation: If inhaled, remove to fresh air. If breathing is labored or with coughing, give 100% supplemental oxygen. If not breathing, begin artificial respiration. DO NOT GIVE MOUTH-TO-MOUTH RESUSCITATION. Ingestion: If swallowed, get medical attention immediately; do not induce vomiting. Never give anything by mouth to an unconscious person. If not breathing, begin artificial respiration. DO NOT GIVE MOUTH-TO-MOUTH RESUSCITATION. Skin Contact: Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical attention immediately. Wash clothing before reuse. Thoroughly clean shoes before reuse. Eye Contact: Immediately flush eyes with plenty of water for at least 15 minutes, lifting lower and upper eyelids occasionally. Get medical attention immediately. Note to Physician: Any patient with ingestion or other significant exposure to acetonitrile should be observed in the intensive care unit for 24 hours. In-Hospital Management: Consider gastric lavage if patient is presented soon after ingestion. Administer charcoal slurry with or without saline cathartic or sorbitol. Immediately begin therapy with 100% oxygen. Observe for respiratory depression, seizures, hypotension or pulmonary edema. Acetonitrile metabolizes into cyanide over 2 to 8 hours, so symptoms or signs of toxicity may be delayed after significant exposures. Consider cyanide antidote as clinically indicated, such as sodium thiosulfate and sodium nitrate. Monitor cyanide levels, arterial blood gases, and acid-base balance.

5. Fire Fighting Measures

Fire: Flash point: 2C (36F) CC Autoignition temperature: 524C (975F) Flammable limits in air % by volume: lel: 4.4; uel: 16.0 Flammable Liquid and Vapor! Contact with strong oxidizers may cause fire. Explosion: Above flash point, vapor-air mixtures are explosive within flammable limits noted above. Vapors can


flow along surfaces to distant ignition source and flash back. Sealed containers may rupture when heated. Sensitive to static discharge. Fire Extinguishing Media: Dry chemical, foam or carbon dioxide. Water spray may be used to keep fire exposed containers cool. Special Information: In the event of a fire, wear full protective clothing and NIOSH-approved self-contained breathing apparatus with full facepiece operated in the pressure demand or other positive pressure mode. If a leak or spill has not ignited, use water spray to disperse the vapors, to protect personnel attempting to stop leak, and to flush spills away from exposures. May emit toxic and flammable fumes of cyanide if involved in a fire.

6. Accidental Release Measures

Ventilate area of leak or spill. Remove all sources of ignition. Wear appropriate personal protective equipment as specified in Section 8. Isolate hazard area. Keep unnecessary and unprotected personnel from entering. Contain and recover liquid when possible. Use non-sparking tools and equipment. Collect liquid in an appropriate container or absorb with an inert material (e. g., vermiculite, dry sand, earth), and place in a chemical waste container. Do not use combustible materials, such as saw dust. Do not flush to sewer! If a leak or spill has not ignited, use water spray to disperse the vapors, to protect personnel attempting to stop leak, and to flush spills away from exposures. Spills can be reacted in an alkaline hypochlorite solution to produce cyanate and then neutralized. US Regulations (CERCLA) require reporting spills and releases to soil, water and air in excess of reportable quantities. The toll free number for the US Coast Guard National Response Center is (800) 424-8802. J. T. Baker SOLUSORB® solvent adsorbent is recommended for spills of this product.

7. Handling and Storage

Protect against physical damage. Store in a cool, dry well-ventilated location, away from any area where the fire hazard may be acute. Outside or detached storage is preferred. Separate from incompatibles. Containers should be bonded and grounded for transfers to avoid static sparks. Storage and use areas should be No Smoking areas. Use non-sparking type tools and equipment, including explosion proof ventilation. Containers of this material may be hazardous when empty since they retain product residues (vapors, liquid); observe all warnings and precautions listed for the product. Do Not attempt to clean empty containers since residue is difficult to remove. Do not pressurize, cut, weld, braze, solder, drill, grind or expose such containers to heat, sparks, flame, static electricity or other sources of ignition: they may explode and cause injury or death.


8. Exposure Controls/Personal Protection

Airborne Exposure Limits: For Acetonitrile: -OSHA Permissible Exposure Limit (PEL): 40 ppm (TWA) -ACGIH Threshold Limit Value (TLV): 20 ppm (TWA), skin, A4 - not classifiable as a human carcinogen. Ventilation System: A system of local and/or general exhaust is recommended to keep employee exposures below the Airborne Exposure Limits. Local exhaust ventilation is generally preferred because it can control the emissions of the contaminant at its source, preventing dispersion of it into the general work area. Please refer to the ACGIH document, Industrial Ventilation, A Manual of Recommended Practices, most recent edition, for details. Personal Respirators (NIOSH Approved): If the exposure limit is exceeded and engineering controls are not feasible, wear a supplied air, full-facepiece respirator, airlined hood, or full-facepiece self-contained breathing apparatus. Breathing air quality must meet the requirements of the OSHA respiratory protection standard (29CFR1910.134). This substance has poor warning properties. Where respirators are required, you must have a written program covering the basic requirements in the OSHA respirator standard. These include training, fit testing, medical approval, cleaning, maintenance, cartridge change schedules, etc. See 29CFR1910.134 for details. Skin Protection: Wear impervious protective clothing, including boots, gloves, lab coat, apron or coveralls, as appropriate, to prevent skin contact. Eye Protection: Use chemical safety goggles and/or a full face shield where splashing is possible. Maintain eye wash fountain and quick-drench facilities in work area.

9. Physical and Chemical Properties

Appearance: Clear, colorless liquid. Odor: Ether odor. Solubility: Miscible in water. Specific Gravity: 0.79 @ 15C/4C pH:


No information found. % Volatiles by volume @ 21C (70F): 100 Boiling Point: 81.6C (180F) Melting Point: -46C (-51F) Vapor Density (Air=1): 1.4 Vapor Pressure (mm Hg): 73 @ 20C (68F) Evaporation Rate (BuAc=1): 5.79

10. Stability and Reactivity

Stability: Stable under ordinary conditions of use and storage. Hazardous Decomposition Products: Burning may produce fumes of cyanide, carbon monoxide, carbon dioxide, nitrogen oxides and sulfur oxides. Hazardous Polymerization: Will not occur. Incompatibilities: Incompatible with oxidizing materials, sulfuric acid, oleum, chlorosulfonic acid, n-fluoro compounds, nitrating agents and perchlorates. Conditions to Avoid: Heat, flames, ignition sources and incompatibles.

11. Toxicological Information

Oral rat LD50: 2460 mg/kg; skin rabbit LD50: 1250 uL/kg; inhalation rat LC50: 7551 ppm/8H. Investigated as a tumorigen, mutagen, reproductive effector.

--------\Cancer Lists\------------------------------------------------------ ---NTP Carcinogen--- Ingredient Known Anticipated IARC Category


------------------------------------ ----- ----------- ------------- Acetonitrile (75-05-8) No No None Acrylonitrile (107-13-1) No Yes 2B

12. Ecological Information

Environmental Fate: When released into the soil, this material may biodegrade to a moderate extent. When released into the soil, this material is expected to leach into groundwater. When released into the soil, this material may evaporate to a moderate extent. When released into water, this material may biodegrade to a moderate extent. When released into water, this material may evaporate to a moderate extent. This material has an estimated bioconcentration factor (BCF) of less than 100. This material is not expected to significantly bioaccumulate. When released into the air, this material is not expected to react with photochemically produced hydroxyl radicals. When released into the air, this material may be removed from the atmosphere to a moderate extent by wet deposition. When released into the air, this material is expected to have a half-life of greater than 30 days. Environmental Toxicity: This material is not expected to be toxic to aquatic life. The LC50/96-hour values for fish are over 100 mg/l.

13. Disposal Considerations

Whatever cannot be saved for recovery or recycling should be handled as hazardous waste and sent to a RCRA approved waste facility. Processing, use or contamination of this product may change the waste management options. State and local disposal regulations may differ from federal disposal regulations. Dispose of container and unused contents in accordance with federal, state and local requirements.

14. Transport Information

Domestic (Land, D.O.T.) ----------------------- Proper Shipping Name: ACETONITRILE Hazard Class: 3 UN/NA: UN1648 Packing Group: II Information reported for product/size: 350LB International (Water, I.M.O.)


----------------------------- Proper Shipping Name: ACETONITRILE Hazard Class: 3 UN/NA: UN1648 Packing Group: II Information reported for product/size: 350LB

15. Regulatory Information

--------\Chemical Inventory Status - Part 1\--------------------------------- Ingredient TSCA EC Japan Australia ----------------------------------------------- ---- --- ----- --------- Acetonitrile (75-05-8) Yes Yes Yes Yes Acrylonitrile (107-13-1) Yes Yes Yes Yes --------\Chemical Inventory Status - Part 2\--------------------------------- --Canada-- Ingredient Korea DSL NDSL Phil. ----------------------------------------------- ----- --- ---- ----- Acetonitrile (75-05-8) Yes Yes No Yes Acrylonitrile (107-13-1) Yes Yes No Yes --------\Federal, State & International Regulations - Part 1\---------------- -SARA 302- ------SARA 313------ Ingredient RQ TPQ List Chemical Catg. ----------------------------------------- --- ----- ---- -------------- Acetonitrile (75-05-8) No No Yes No Acrylonitrile (107-13-1) 100 10000 Yes No --------\Federal, State & International Regulations - Part 2\---------------- -RCRA- -TSCA- Ingredient CERCLA 261.33 8(d) ----------------------------------------- ------ ------ ------ Acetonitrile (75-05-8) 5000 U003 No Acrylonitrile (107-13-1) 100 U009 No Chemical Weapons Convention: No TSCA 12(b): Yes CDTA: No


SARA 311/312: Acute: Yes Chronic: Yes Fire: Yes Pressure: No Reactivity: No (Mixture / Liquid)

WARNING: THIS PRODUCT CONTAINS A CHEMICAL(S) KNOWN TO THE STATE OF CALIFORNIA TO CAUSE CANCER. Australian Hazchem Code: 2WE Poison Schedule: None allocated. WHMIS: This MSDS has been prepared according to the hazard criteria of the Controlled Products Regulations (CPR) and the MSDS contains all of the information required by the CPR.

16. Other Information

NFPA Ratings: Health: 2 Flammability: 3 Reactivity: 0 Label Hazard Warning: DANGER! MAY BE FATAL IF SWALLOWED, INHALED OR ABSORBED THROUGH SKIN. AFFECTS CARDIOVASCULAR SYSTEM, CENTRAL NERVOUS SYSTEM, LIVER AND KIDNEYS. FLAMMABLE LIQUID AND VAPOR. MAY CAUSE IRRITATION TO SKIN, EYES, AND RESPIRATORY TRACT. Label Precautions: Do not breathe vapor or mist. Do not get in eyes, on skin, or on clothing. Keep container closed. Use only with adequate ventilation. Wash thoroughly after handling. Keep away from heat, sparks and flame. Label First Aid: IN ALL CASES, CALL A PHYSICIAN IMMEDIATELY. DO NOT GIVE MOUTH-TO-MOUTH RESUSCITATION Emergency response personnel must take precautions to avoid contact with this substance. If inhaled, remove to fresh air. Monitor for respiratory distress. If not breathing give artificial respiration. If cough or difficulty in breathing develops, administer 100% supplemental oxygen, as required. If swallowed, get medical attention immediately; do not induce vomiting. Never give anything by mouth to an unconscious person. In case of contact, immediately flush eyes or skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Product Use: Laboratory Reagent. Revision Information: No Changes. Disclaimer: ************************************************************************************************ Mallinckrodt Baker, Inc. provides the information contained herein in good faith but makes no


representation as to its comprehensiveness or accuracy. This document is intended only as a guide to the appropriate precautionary handling of the material by a properly trained person using this product. Individuals receiving the information must exercise their independent judgment in determining its appropriateness for a particular purpose. MALLINCKRODT BAKER, INC. MAKES NO REPRESENTATIONS OR WARRANTIES, EITHER EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION ANY WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE WITH RESPECT TO THE INFORMATION SET FORTH HEREIN OR THE PRODUCT TO WHICH THE INFORMATION REFERS. ACCORDINGLY, MALLINCKRODT BAKER, INC. WILL NOT BE RESPONSIBLE FOR DAMAGES RESULTING FROM USE OF OR RELIANCE UPON THIS INFORMATION. ************************************************************************************************ Prepared by: Environmental Health & Safety Phone Number: (314) 654-1600 (U.S.A.)

Toluene


Synonyms: Methylbenzene; Toluol; Phenylmethane CAS No.: 108-88-3 Molecular Weight: 92.14 Chemical Formula: C6H5-CH3 Product Codes: J.T. Baker: 5375, 5812, 9336, 9351, 9364, 9456, 9457, 9459, 9460, 9462, 9466, 9472, 9476 Mallinckrodt: 4483, 8092, 8604, 8608, 8610, 8611, V560


Ingredient CAS No Percent Hazardous --------------------------------------- ------------ ------------ --------- Toluene 108-88-3 100% Yes



Emergency Overview -------------------------- POISON! DANGER! HARMFUL OR FATAL IF SWALLOWED. HARMFUL IF INHALED OR ABSORBED THROUGH SKIN. VAPOR HARMFUL. FLAMMABLE LIQUID AND VAPOR. MAY AFFECT LIVER, KIDNEYS, BLOOD SYSTEM, OR CENTRAL NERVOUS SYSTEM. CAUSES IRRITATION TO SKIN, EYES AND RESPIRATORY TRACT. SAF-T-DATA(tm) Ratings (Provided here for your convenience) ----------------------------------------------------------------------------------------------------------- Health Rating: 2 - Moderate (Life) Flammability Rating: 3 - Severe (Flammable) Reactivity Rating: 1 - Slight Contact Rating: 3 - Severe (Life) Lab Protective Equip: GOGGLES & SHIELD; LAB COAT & APRON; VENT HOOD; PROPER GLOVES; CLASS B EXTINGUISHER Storage Color Code: Red (Flammable) ----------------------------------------------------------------------------------------------------------- Potential Health Effects ---------------------------------- Inhalation: Inhalation may cause irritation of the upper respiratory tract. Symptoms of overexposure may include fatigue, confusion, headache, dizziness and drowsiness. Peculiar skin sensations (e. g. pins and needles) or numbness may be produced. Very high concentrations may cause unconsciousness and death. Ingestion: Swallowing may cause abdominal spasms and other symptoms that parallel over-exposure from inhalation. Aspiration of material into the lungs can cause chemical pneumonitis, which may be fatal. Skin Contact: Causes irritation. May be absorbed through skin. Eye Contact: Causes severe eye irritation with redness and pain. Chronic Exposure: Reports of chronic poisoning describe anemia, decreased blood cell count and bone marrow hypoplasia. Liver and kidney damage may occur. Repeated or prolonged contact has a defatting action, causing drying, redness, dermatitis. Exposure to toluene may affect the developing fetus. Aggravation of Pre-existing Conditions: Persons with pre-existing skin disorders or impaired liver or kidney function may be more susceptible to the effects of this substance. Alcoholic beverage consumption can enhance the toxic effects of this substance.



Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. CALL A PHYSICIAN IMMEDIATELY. Ingestion: Aspiration hazard. If swallowed, DO NOT INDUCE VOMITING. Give large quantities of water. Never give anything by mouth to an unconscious person. Get medical attention immediately. If vomiting occurs, keep head below hips to prevent aspiration into lungs. Skin Contact: In case of contact, immediately flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Call a physician immediately. Eye Contact: Immediately flush eyes with plenty of water for at least 15 minutes, lifting lower and upper eyelids occasionally. Get medical attention immediately.


Fire: Flash point: 7C (45F) CC Autoignition temperature: 422C (792F) Flammable limits in air % by volume: lel: 1.1; uel: 7.1 Flammable liquid and vapor! Dangerous fire hazard when exposed to heat or flame. Vapors can flow along surfaces to distant ignition source and flash back. Explosion: Above flash point, vapor-air mixtures are explosive within flammable limits noted above. Contact with strong oxidizers may cause fire or explosion. Sensitive to static discharge. Fire Extinguishing Media: Dry chemical, foam or carbon dioxide. Water may be used to flush spills away from exposures and to dilute spills to non-flammable mixtures. Special Information: In the event of a fire, wear full protective clothing and NIOSH-approved self-contained breathing apparatus with full facepiece operated in the pressure demand or other positive pressure mode. Water spray may be used to keep fire exposed containers cool.



Ventilate area of leak or spill. Remove all sources of ignition. Wear appropriate personal protective equipment as specified in Section 8. Isolate hazard area. Keep unnecessary and unprotected personnel from entering. Contain and recover liquid when possible. Use non-sparking tools and equipment. Collect liquid in an appropriate container or absorb with an inert material (e. g., vermiculite, dry sand, earth), and place in a chemical waste container. Do not use combustible materials, such as saw dust. Do not flush to sewer! If a leak or spill has not ignited, use water spray to disperse the vapors, to protect personnel attempting to stop leak, and to flush spills away from exposures. US Regulations (CERCLA) require reporting spills and releases to soil, water and air in excess of reportable quantities. The toll free number for the US Coast Guard National Response Center is (800) 424-8802. J. T. Baker SOLUSORB® solvent adsorbent is recommended for spills of this product.


Protect against physical damage. Store in a cool, dry well-ventilated location, away from any area where the fire hazard may be acute. Outside or detached storage is preferred. Separate from incompatibles. Containers should be bonded and grounded for transfers to avoid static sparks. Storage and use areas should be No Smoking areas. Use non-sparking type tools and equipment, including explosion proof ventilation. Containers of this material may be hazardous when empty since they retain product residues (vapors, liquid); observe all warnings and precautions listed for the product.


Airborne Exposure Limits: Toluene: - OSHA Permissible Exposure Limit (PEL): 200 ppm (TWA); 300 ppm (acceptable ceiling conc.); 500 ppm (maximum conc.). - ACGIH Threshold Limit Value (TLV): 20 ppm (TWA), A4 - Not Classifiable as a Human Carcinogen. Ventilation System: A system of local and/or general exhaust is recommended to keep employee exposures below the Airborne Exposure Limits. Local exhaust ventilation is generally preferred because it can control the emissions of the contaminant at its source, preventing dispersion of it into the general work area. Please refer to the ACGIH document, Industrial Ventilation, A Manual of Recommended Practices, most recent edition, for details. Personal Respirators (NIOSH Approved):


If the exposure limit is exceeded and engineering controls are not feasible, a half-face organic vapor respirator may be worn for up to ten times the exposure limit, or the maximum use concentration specified by the appropriate regulatory agency or respirator supplier, whichever is lowest. A full-face piece organic vapor respirator may be worn up to 50 times the exposure limit, or the maximum use concentration specified by the appropriate regulatory agency or respirator supplier, whichever is lowest. For emergencies or instances where the exposure levels are not known, use a full-face piece positive-pressure, air-supplied respirator. WARNING: Air-purifying respirators do not protect workers in oxygen-deficient atmospheres. Skin Protection: Wear impervious protective clothing, including boots, gloves, lab coat, apron or coveralls, as appropriate, to prevent skin contact. Eye Protection: Use chemical safety goggles and/or a full face shield where splashing is possible. Maintain eye wash fountain and quick-drench facilities in work area.


Appearance: Clear, colorless liquid. Odor: Aromatic benzene-like. Solubility: 0.05 gm/100gm water @ 20C (68F). Specific Gravity: 0.86 @ 20C / 4 C pH: No information found. % Volatiles by volume @ 21C (70F): 100 Boiling Point: 111C (232F) Melting Point: -95C (-139F) Vapor Density (Air=1): 3.14 Vapor Pressure (mm Hg): 22 @ 20C (68F) Evaporation Rate (BuAc=1): 2.24



Stability: Stable under ordinary conditions of use and storage. Containers may burst when heated. Hazardous Decomposition Products: Carbon dioxide and carbon monoxide may form when heated to decomposition. Hazardous Polymerization: Will not occur. Incompatibilities: Heat, flame, strong oxidizers, nitric and sulfuric acids, chlorine, nitrogen tetraoxide; will attack some forms of plastics, rubber, coatings. Conditions to Avoid: Heat, flames, ignition sources and incompatibles.


Toxicological Data: Oral rat LD50: 636 mg/kg; skin rabbit LD50: 14100 uL/kg; inhalation rat LC50: 49 gm/m3/4H; Irritation data: skin rabbit, 500 mg, Moderate; eye rabbit, 2 mg/24H, Severe. Investigated as a tumorigen, mutagen, reproductive effector. Reproductive Toxicity: Has shown some evidence of reproductive effects in laboratory animals.

--------\Cancer Lists\------------------------------------------------------ ---NTP Carcinogen--- Ingredient Known Anticipated IARC Category ------------------------------------ ----- ----------- ------------- Toluene (108-88-3) No No 3


Environmental Fate: When released into the soil, this material may evaporate to a moderate extent. When released into the soil, this material is expected to leach into groundwater. When released into the soil, this material may biodegrade to a moderate extent. When released into water, this material may evaporate to a moderate extent. When released into water, this material may biodegrade to a moderate extent. When released into the air, this material may be moderately degraded by reaction with photochemically produced hydroxyl radicals. When released into the air, this material is expected to have a half-life of less than 1


day. This material is not expected to significantly bioaccumulate. This material has a log octanol-water partition coefficient of less than 3.0. Bioconcentration factor = 13.2 (eels). Environmental Toxicity: This material is expected to be toxic to aquatic life. The LC50/96-hour values for fish are between 10 and 100 mg/l.


Whatever cannot be saved for recovery or recycling should be handled as hazardous waste and sent to a RCRA approved incinerator or disposed in a RCRA approved waste facility. Processing, use or contamination of this product may change the waste management options. State and local disposal regulations may differ from federal disposal regulations. Dispose of container and unused contents in accordance with federal, state and local requirements.


Domestic (Land, D.O.T.) ----------------------- Proper Shipping Name: TOLUENE Hazard Class: 3 UN/NA: UN1294 Packing Group: II Information reported for product/size: 390LB International (Water, I.M.O.) ----------------------------- Proper Shipping Name: TOLUENE Hazard Class: 3 UN/NA: UN1294 Packing Group: II Information reported for product/size: 390LB


--------\Chemical Inventory Status - Part 1\--------------------------------- Ingredient TSCA EC Japan Australia


----------------------------------------------- ---- --- ----- --------- Toluene (108-88-3) Yes Yes Yes Yes --------\Chemical Inventory Status - Part 2\--------------------------------- --Canada-- Ingredient Korea DSL NDSL Phil. ----------------------------------------------- ----- --- ---- ----- Toluene (108-88-3) Yes Yes No Yes --------\Federal, State & International Regulations - Part 1\---------------- -SARA 302- ------SARA 313------ Ingredient RQ TPQ List Chemical Catg. ----------------------------------------- --- ----- ---- -------------- Toluene (108-88-3) No No Yes No --------\Federal, State & International Regulations - Part 2\---------------- -RCRA- -TSCA- Ingredient CERCLA 261.33 8(d) ----------------------------------------- ------ ------ ------ Toluene (108-88-3) 1000 U220 No Chemical Weapons Convention: No TSCA 12(b): No CDTA: Yes SARA 311/312: Acute: Yes Chronic: Yes Fire: Yes Pressure: No Reactivity: No (Pure / Liquid)

WARNING: THIS PRODUCT CONTAINS A CHEMICAL(S) KNOWN TO THE STATE OF CALIFORNIA TO CAUSE BIRTH DEFECTS OR OTHER REPRODUCTIVE HARM. Australian Hazchem Code: 3[Y]E Poison Schedule: S6 WHMIS: This MSDS has been prepared according to the hazard criteria of the Controlled Products Regulations (CPR) and the MSDS contains all of the information required by the CPR.



NFPA Ratings: Health: 2 Flammability: 3 Reactivity: 0 Label Hazard Warning: POISON! DANGER! HARMFUL OR FATAL IF SWALLOWED. HARMFUL IF INHALED OR ABSORBED THROUGH SKIN. VAPOR HARMFUL. FLAMMABLE LIQUID AND VAPOR. MAY AFFECT LIVER, KIDNEYS, BLOOD SYSTEM, OR CENTRAL NERVOUS SYSTEM. CAUSES IRRITATION TO SKIN, EYES AND RESPIRATORY TRACT. Label Precautions: Keep away from heat, sparks and flame. Keep container closed. Use only with adequate ventilation. Wash thoroughly after handling. Avoid breathing vapor. Avoid contact with eyes, skin and clothing. Label First Aid: Aspiration hazard. If swallowed, DO NOT INDUCE VOMITING. Give large quantities of water. Never give anything by mouth to an unconscious person. If vomiting occurs, keep head below hips to prevent aspiration into lungs. If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. In case of contact, immediately flush eyes or skin with plenty of water for at least 15 minutes. Remove contaminated clothing and shoes. Wash clothing before reuse. In all cases call a physician immediately. Product Use: Laboratory Reagent. Revision Information: No Changes. Disclaimer: ************************************************************************************************ Mallinckrodt Baker, Inc. provides the information contained herein in good faith but makes no representation as to its comprehensiveness or accuracy. This document is intended only as a guide to the appropriate precautionary handling of the material by a properly trained person using this product. Individuals receiving the information must exercise their independent judgment in determining its appropriateness for a particular purpose. MALLINCKRODT BAKER, INC. MAKES NO REPRESENTATIONS OR WARRANTIES, EITHER EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION ANY WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE WITH RESPECT TO THE INFORMATION SET FORTH HEREIN OR THE PRODUCT TO WHICH THE INFORMATION REFERS. ACCORDINGLY, MALLINCKRODT BAKER, INC. WILL NOT BE RESPONSIBLE FOR DAMAGES RESULTING FROM USE OF OR RELIANCE UPON THIS INFORMATION. ************************************************************************************************ Prepared by: Environmental Health & Safety Phone Number: (314) 654-1600 (U.S.A.)


Water


Synonyms: Hydrogen oxide; Dihydrogen oxide; Distilled water CAS No.: 7732-18-5 Molecular Weight: 18.02 Chemical Formula: H2O Product Codes: J.T. Baker: 4022, 4201, 4212, 4216, 4218, 4219, 4221, 6906, 9823, 9831, XL-317 Mallinckrodt: 6795, H453, V564


Ingredient CAS No Percent Hazardous --------------------------------------- ------------ ------------ --------- Water 7732-18-5 100% No


Emergency Overview -------------------------- Not applicable. SAF-T-DATA(tm) Ratings (Provided here for your convenience) ----------------------------------------------------------------------------------------------------------- Health Rating: 0 - None Flammability Rating: 0 - None Reactivity Rating: 1 - Slight Contact Rating: 0 - None Lab Protective Equip: GOGGLES; LAB COAT Storage Color Code: Green (General Storage)


----------------------------------------------------------------------------------------------------------- Potential Health Effects ---------------------------------- Water is non-hazardous. Inhalation: Not applicable. Ingestion: Not applicable. Skin Contact: Not applicable. Eye Contact: Not applicable. Chronic Exposure: Not applicable. Aggravation of Pre-existing Conditions: Not applicable.


Inhalation: Not applicable. Ingestion: Not applicable. Skin Contact: Not applicable. Eye Contact: Not applicable.


Fire: Not applicable. Explosion: Not applicable. Fire Extinguishing Media: Use extinguishing media appropriate for surrounding fire.


Special Information: In the event of a fire, wear full protective clothing and NIOSH-approved self-contained breathing apparatus with full facepiece operated in the pressure demand or other positive pressure mode.


Non-hazardous material. Clean up of spills requires no special equipment or procedures.


Keep container tightly closed. Suitable for any general chemical storage area. Protect from freezing. Water is considered a non-regulated product, but may react vigorously with some specific materials. Avoid contact with all materials until investigation shows substance is compatible.


Airborne Exposure Limits: Not applicable. Ventilation System: Not applicable. Personal Respirators (NIOSH Approved): Not applicable. Skin Protection: None required. Eye Protection: None required.


Appearance: Clear, colorless liquid. Odor: Odorless. Solubility: Complete (100%) Specific Gravity:


1.00 pH: 7.0 % Volatiles by volume @ 21C (70F): 100 Boiling Point: 100C (212F) Melting Point: 0C (32F) Vapor Density (Air=1): Not applicable. Vapor Pressure (mm Hg): 17.5 @ 20C (68F) Evaporation Rate (BuAc=1): No information found.


Stability: Stable under ordinary conditions of use and storage. Hazardous Decomposition Products: Not applicable. Hazardous Polymerization: Will not occur. Incompatibilities: Strong reducing agents, acid chlorides, phosphorus trichloride, phosphorus pentachloride, phosphorus oxychloride. Conditions to Avoid: No information found.


For Water: LD50 Oral Rat: >90 ml/Kg. Investigated as a mutagen.

--------\Cancer Lists\------------------------------------------------------ ---NTP Carcinogen--- Ingredient Known Anticipated IARC Category


------------------------------------ ----- ----------- ------------- Water (7732-18-5) No No None


Environmental Fate: Not applicable. Environmental Toxicity: Not applicable.


Whatever cannot be saved for recovery or recycling should be flushed to sewer. If material becomes contaminated during use, dispose of accordingly. Dispose of container and unused contents in accordance with federal, state and local requirements.


Not regulated.


--------\Chemical Inventory Status - Part 1\--------------------------------- Ingredient TSCA EC Japan Australia ----------------------------------------------- ---- --- ----- --------- Water (7732-18-5) Yes Yes Yes Yes --------\Chemical Inventory Status - Part 2\--------------------------------- --Canada-- Ingredient Korea DSL NDSL Phil. ----------------------------------------------- ----- --- ---- ----- Water (7732-18-5) Yes Yes No Yes --------\Federal, State & International Regulations - Part 1\----------------


-SARA 302- ------SARA 313------ Ingredient RQ TPQ List Chemical Catg. ----------------------------------------- --- ----- ---- -------------- Water (7732-18-5) No No No No --------\Federal, State & International Regulations - Part 2\---------------- -RCRA- -TSCA- Ingredient CERCLA 261.33 8(d) ----------------------------------------- ------ ------ ------ Water (7732-18-5) No No No Chemical Weapons Convention: No TSCA 12(b): No CDTA: No SARA 311/312: Acute: No Chronic: No Fire: No Pressure: No Reactivity: No (Pure / Liquid)

Australian Hazchem Code: None allocated. Poison Schedule: None allocated. WHMIS: This MSDS has been prepared according to the hazard criteria of the Controlled Products Regulations (CPR) and the MSDS contains all of the information required by the CPR.


NFPA Ratings: Health: 0 Flammability: 0 Reactivity: 0 Label Hazard Warning: Not applicable. Label Precautions: Keep in tightly closed container. Label First Aid: Not applicable. Product Use: Laboratory Reagent. Revision Information: No Changes. Disclaimer: ************************************************************************************************


Mallinckrodt Baker, Inc. provides the information contained herein in good faith but makes no representation as to its comprehensiveness or accuracy. This document is intended only as a guide to the appropriate precautionary handling of the material by a properly trained person using this product. Individuals receiving the information must exercise their independent judgment in determining its appropriateness for a particular purpose. MALLINCKRODT BAKER, INC. MAKES NO REPRESENTATIONS OR WARRANTIES, EITHER EXPRESS OR IMPLIED, INCLUDING WITHOUT LIMITATION ANY WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE WITH RESPECT TO THE INFORMATION SET FORTH HEREIN OR THE PRODUCT TO WHICH THE INFORMATION REFERS. ACCORDINGLY, MALLINCKRODT BAKER, INC. WILL NOT BE RESPONSIBLE FOR DAMAGES RESULTING FROM USE OF OR RELIANCE UPON THIS INFORMATION. ************************************************************************************************ Prepared by: Environmental Health & Safety Phone Number: (314) 654-1600 (U.S.A.)


Propane


Appendix C: Engineering Calculations

Design


Uf 1.42 m/s

Parameter Value Units G 0.24 kg/s Vapor Mass Flow Ratef 0.80 Fraction of the Vapor Flooding Velocity (~0.75-0.85)

Uf 1.42 m/s Vapor Flooding Velocity

Ad/AT 0.1 Ratio of Downcomer Area to Tower AC 0.1 when FLG ≤ 0.1

ρVAP 2.925 kg/m3 Vapor Density

DT 0.32 m

DT 1.05 ft

Calculation of the Vapor Flooding Velocity

Calculation of the Tray Tower Column Diameter

( )[ ] 2/1/ GgLf CU ρρρ −=

[ ]

2/1

)/(1)(4

−

=GTd

T AAfUfGD

ρπ

Description: The tower was modeled as a trayed tower

Parameter Value Units L 0.83 kg/s Liquid Mass Flow Rate G 1.08 kg/s Vapor Mass Flow Rate

Pressure 1 atm Pressure of the Column

Tfeed 293.15 K Temperature of the Feed

ρLIQ 752.6 kg/m3 Liquid Density


Distillation Column 2 Design (T-102)The system has a total condenser and a partial reboiler

Column 2 Design

Known Parameters

Values obtained from HYSYS Simulation


Uf 0.75 m/s

Parameter Value Units G 0.31 kg/s Vapor Mass Flow Ratef 0.80 Fraction of the Vapor Flooding Velocity (~0.75-0.85)

Uf 0.75 m/s Vapor Flooding Velocity

Ad/AT 0.1 Ratio of Downcomer Area to Tower AC 0.1 when FLG ≤ 0.1


DT 0.28 m

DT 0.92 ft

Calculation of the Vapor Flooding Velocity

Calculation of the Tray Tower Column Diameter

( )[ ] 2/1/ GgLf CU ρρρ −=

[ ]

2/1

)/(1)(4

−

=GTd

T AAfUfGD

ρπ

Description: The extractor was modeled as a rotating-disk contactor

Parameter Value Units mdotH2O 815.70 lb/hr Water Mass Flow Rate mdotmix1 573.20 lb/hr Stream Mix1 Mass Flow Rate

ρH2O 63.12 lb/ft3 Density of Water Stream

ρmix1 51.56 lb/ft3 Density of Mix1 Stream

Calculation of VdotVdotH2O 12.92 ft3/hrVdotmix1 11.12 ft3/hrVdottotal 24.04 ft3/hr

Liquid-Liquid Extractor Design (T-100)Liquid-Liquid Extractor Design

Known Parameters

Values obtained from HYSYS SimulationCalculation of Total Volumetric Flowrate

ρmV =


Parameter Value Unit

v 120.00 ft3/hr*ft2

Calculation of Minimum Cross-Sectional Area

Ac,min 0.2 ft2

Calculation of Actual Cross-Sectional Area Assuming 60% of Maximum Throughput

Ac 0.33 ft2

Calculation of Extractor Diameter

D 0.65 ft

Calculation of Extractor Height

Parameter Value UnitHt 2.00 ft Assumed tray height

Parameter Value Units N 10 Trays

H 26 ft Extractor height with 3 ft at the top and bottom

Calculation of Cross-Sectional Tray Area

Assumed Parameter

Assumed max throughput from 22.6, LLE Extractors

Extractor Sizing

Assumed Parameter

Known Parameter

vV

A totalc

=min,

6.0min,c

c

AA =

2/12 42

⋅

=⇒

⋅=

ππ c

cA

DDA

BTNHH t ++⋅=


Parameter Value Units

Q 3.23 m3/min Volumetric Flowrate Residence Time 5.00 min Holding time for the vessel

L/D Ratio 3 Length to Diameter RatioT (Feed) 293.15 K Temperature of the Feed

Pressure Drum 60 kPa Pressure of the drum

V 16.15 m3

Equation used to calculate the diameter

D 1.900 m

Equation used to calculate the length

L 5.70 m

http://www.geekinterview.com/talk/579-design-vapor-liquid-separator-knockout-drum.html

Calulation of the Length and Height of the Vessel

Flash Separator Design (T-100)Flash Separator Design (T-100)

Description: flash separator was modeled as a vertical pressure vessel

Known Parameters

Calculation of the Volume of the Vessel

sidencetQV Re*=

)*3(**4

2 DDV π=

DL *3=


T-100 Extractor 1.00 ft. diameter10 trays2 ft. tray spacing14.7 psia pressurecarbon steel material of construction

FM 1.0:= Material of construction factor from Table 22.26.Stainless steel 316 used to prevent corrosion.

Di 1.00 12⋅ 12=:= Inner diameter (in.)

Cylinder length (in.) with 20 plates, 9 ft. sumpspace below last tray and 3.6 ft. above top trayfor disengagement space

L 10 2⋅ 3+ 3+( ) 12⋅ 312=:=

Po 14.7 14.7− 0=:= Operating pressure (psig)

Pd 10:= Internal design gauge pressure (psig)

E 0.85:= Weld efficiency from Page 575

S 12650:= Maximum allowable stress (psig) from Process EquipmentDesign: Vessel Design

tpPd Di⋅( )

2 S⋅ E⋅ 1.2 Pd⋅−5.583 10 3−

×=:= Wall thickness (in) at top of column from Eq. 22.60 which isnot greater than minimum value of 0.3125 in. for wall rigidity.Tp,prime of 0.3125 in must therefore be used.

tpprime 0.3125:= Wall thickness (in)

twall 1.25:= Assumed wall thickness (in) from Ex. 22.13

Do Di 2 twall⋅+ 14.5=:= Outer diamter (in) assuming a wall thickness of 1.25 in from Ex.22.13

tw0.22 Do 18+( ) L2

⋅

S Do2

⋅0.262=:= Necessary excess thickness (in) at bottom of column for exterior

construction from Eq. 22.62

twallbottom tpprime tw+ 0.574=:= Thickness of wall (in) at bottom of column to withstand internalpressure and wind load (or earthquake)

tvtpprime twallbottom+

20.443=:= Average wall thickness (in) over length of column

tc 0.125:= Corrosion allowance (in) from Ex. 22.13

tf tv tc+ 0.568=:= Average wall thickness (in) accounting for corrosion

ts 0.625:= Wall thickness (in) accounting for steel fabrication incrementsfrom pg. 576 for 1/8 in. increments for 5/8 to 2 in. inclusive


T-101 6.56 ft. diameter20 sieve plates1.51 ft. tray spacing14.7 psia pressurecarbon steel material of construction

FM 1.0:= Material of construction factor from Table 22.26 for carbonsteel.

Di 6.56 12⋅ 78.72=:= Inner diameter (in.)


L 20 1−( ) 1.51⋅10 1.51⋅

2+

4 1.51⋅

2+

12⋅ 471.12=:=





tpPd Di⋅( )

2 S⋅ E⋅ 1.2 Pd⋅−0.037=:= Wall thickness (in) at top of column from Eq. 22.60 which is not

greater than minimum value of 0.3125 in. for wall rigidity.Tp,prime of 0.3125 in. must be used.




tw0.22 Do 18+( ) L2

⋅

S Do2








ts 0.5:= Wall thickness (in) accounting for steel fabrication incrementsfrom pg. 576 for 1/16 in. increments for 3/16 to 1/2 in. inclusive


T-102 9.84 ft. diameter20 sieve plates1.51 ft. tray spacing14.7 psia pressurecarbon steel material of construction

FM 1.0:= Material of construction factor from Table 22.26 for carbonsteel.



L 20 1−( ) 1.51⋅10 1.51⋅

2+

4 1.51⋅

2+

12⋅ 471.12=:=





tpPd Di⋅( )

2 S⋅ E⋅ 1.2 Pd⋅−0.055=:= Wall thickness (in) at top of column from Eq. 22.60 which is not

greater than minimum value of 0.3125 in. for wall rigidity.Tp,prime of 0.3125 in. must be used.




tw0.22 Do 18+( ) L2

⋅

S Do2










T-103 Distillation Column 3.28 ft. diameter20 sieve plates1.51 ft. tray spacing147.0 psia pressurecarbon steel material of construction

FM 1.0:= Material of construction factor from Table 22.26.Stainless steel 316 used to prevent corrosion.



L 20 1−( ) 1.51⋅10 1.51⋅

2+

4 1.51⋅

2+

12⋅ 471.12=:=

Po 147.0 14.7− 132.3=:= Operating pressure (psig)

Pd e0.60608 0.91615 ln Po( )⋅+ 0.0015655 ln Po( )( )2⋅+

167.151=:= Internal design gauge pressure (psig)



tpPd Di⋅( )

2 S⋅ E⋅ 1.2 Pd⋅−0.309=:= Wall thickness (in) at top of column from Eq. 22.60 which is

greater than minimum value of 0.25 in. for wall rigidity.



tw0.22 Do 18+( ) L2

⋅

S Do2



twallbottom tp tw+ 0.441=:= Thickness of wall (in) at bottom of column to withstand internalpressure and wind load (or earthquake)

tvtp twallbottom+






Costing

Complete Distillation Process

Purchase Costing

Heat Exchanger ∆Tlm (oF) U (Btu/ft2-hr-oF) Duty (Btu/hr)Heat Transfer

Area (m2)Purchased Cost

Exchanger 1 (E-100)

120.90 200.00 5.31E+04 0.20 $ 1,256.14

Exchanger 2 (E-101)

148.80 200.00 2.85E+05 0.89 $ 1,379.23

Exchanger 3 (E-102)

103.80 200.00 6.22E+04 0.28 $ 1,281.09

Exchanger 4 (E-103)

115.40 200.00 1.18E+05 0.48 $ 1,325.63

Exchanger 5 (E-104)

123.00 200.00 2.31E+03 0.01 $ 1,028.24

Total Purchase Cost

$ 6,270.33



Exchanger 6 (E-105)

24.86 140.00 6.06E+05 16.16 $ 1,658.06

Total Purchase Cost

$ 1,658.06

Solvent Recovery System

Refrigeration Cycle

Assumptions

Double Pipe Heat Exchanger Carbon Steel Shell and Tube

Pressure Rating up to 4135 kPa

Assumptions












Purchase Costing

Condenser Th,I (oF) Th,o(oF) Tc,i (

oF) Tc,o (oF)U

(Btu/oF-ft^2-hr)∆Tlm (oF)

Duty (Btu/hr)

Surface Area (m^2)

Purchased Cost

Condenser 1 Distillation Column 1 (T-101)

(E-106)231.1 228.2 90 120 150 124.00 3.01E+05 1.50 1,426.01$


(E-107)169.3 167.8 90 120 125 62.37 3.76E+06 44.77 9,883.11$


(E-108)318.2 314.6 90 120 125 211.00 9.93E+05 3.50 1,504.53$

Total Purchase Cost

12,813.65$

Reboiler Th,I (oF) Th,o(oF) Tc,i (

oF) Tc,o (oF)U


Duty (Btu/hr)

Surface Area (m^2)

Purchased Cost

Reboiler 1 Distillation Column 1 (T-101)

(E-109)459.5 459.5 231.3 234.3 250 64.89 3.57E+05 2.04 1,453.93$


(E-110)459.5 459.5 212 212 325 85.70 4.23E+06 14.11 1,643.79$


(E-111)459.5 459.5 345.5 345.5 250 20.38 1.27E+06 23.23 1,696.71$

Total Purchase Cost

4,794.43$



Assumptions

Assumptions







Floating Head Shell-and-Tube Heat Exchanger Design pressure: 690 kPa.

0.019-m OD X 0.025-m square pitch and 4.88-m bundle Carbon Steel Shell and Carbon Steel Tube




Purchase Costing

MixerVolumetric

Flowrate (gal/min)


Volume of Agitator

(gal)

Power Requirement (Hp)

Power Requirement

(kW)

Purchase Cost

Mixer 1 (MIX-100)

1.39 2 2.77 0.001 0.001 $ 1,367.50

Mixer 2 (MIX-101)

1.85 2 3.70 0.002 0.001 $ 1,437.81

Mixer 3 (MIX-102)

6.52 2 13.03 0.007 0.005 $ 1,787.95

Mixer 4 (MIX-103)

1366.64 2 2733.28 1.37 1.02 $ 4,513.02

Total Purchase Cost

9,106.29$

ValveVelocity

(m/s)

Volumetric Flowrate Out

(m3/s)


Diameter (m) Purchase Cost

Valve 1 (VLV-100)

3.66E-02 0.0001 0.0020 0.0500 $ 1,609.21

Valve 2 (VLV-101)

0.1286 0.0003 0.0020 0.0500 $ 1,609.28

Valve 3 (VLV-102)

0.6038 0.0012 0.0020 0.0500 $ 1,609.17

Total Purchase Cost

4,827.67$

Closed Tank Propeller Agitator Carbon Steel

Assumptions




Assumptions

Diaphragm Valve Butterfly Construction

Carbon Steel


Carbon Steel


Carbon Steel

Purchase Costing

Compressor Mass Rate

(kg/hr)


%

Power Requirement

(kW)Purchase Cost

Compressor 1 (K-100)

2019 75.00 25.48 $ 37,425.32

Assumptions

Carbon Steel Rotary Centrifugal Compressor

Drive, Gear Mounting, Baseplate, Auxiliary Equipment Included Operating Pressure up to 7000kPa


Purc

hase

Cos

ting

Dis

tilla

tion

Col

umn

Dia

met

er (m

)D

esig

n D

iam

eter

(m

)

Tray

Sp

acin

g (m

)

Num

ber

of T

rays

Leng

th o

f Co

lum

n (m

)

Colu

mn

W

all

Thic

knes

s (m

)

Purc

hase

Cos

t of

Col

umn

Excl

udin

g Tr

ays

Inst

alla

tion

Cos

t of

Tra

ysCo

uplin

gs

Co

st

Flan

ged

Man

hole

s

Cost

Flan

ged

Noz

zels

Tota

l Cos

t of

Dis

tilla

tion

Co

lum

n

Dis

tilla

tion

Col

umn

1

(T-1

01)

1.05

20.

4620

11.9

70.

0127

60,3

94.2

0$

22

,430

.63

$

4,93

2.92

$

$

21,

453.

04

$

1

5,92

5.45

12

5,13

6.24

$

Dis

tilla

tion

Col

umn

2

(T-1

02)

2.72

30.

4620

11.9

70.

0127

92,0

40.0

0$

35

,450

.14

$

4,93

2.92

$

$

21,

453.

04

$

1

5,92

5.45

16

9,80

1.54

$

Dis

tilla

tion

Col

umn

3

(T

-103

)0.

921

0.46

2011

.97

0.01

27 $

60

,159

.66

11,4

80.6

5$

4,

932.

92$

$

2

1,45

3.04

$

15,

925.

45

113,

951.

72$

Tota

l Pur

chas

e Co

st40

8,88

9.50

$

Liqu

id-L

iqui

d Ex

trac

tor

Dia

met

er (m

)D

esig

n D

iam

eter

(m

)

Tray

Sp

acin

g (m

)

Num

ber

of T

rays

Leng

th o

f Co

lum

n (m

)

Colu

mn

W

all

Thic

knes

s (m

)

Purc

hase

Cos

t of

Ext

ract

or

Coup

lings

Cost

To

tal C

ost o

f LL

E

Liqu

id-L

iqui

d Ex

trac

tor 1

(T

-100

)0.

198

0.30

50.

6110

7.92

4.83

E-03

5,11

3.83

$

2,

959.

75$

8,07

3.58

$

Tota

l Pur

chas

e Co

st8,

073.

58$

Ass

umpt

ions

Rota

ry D

isc

Cont

acto

rs (R

DC)

Liqu

id-L

iqui

d Ex

trac

tor

Ca

rbon

Ste

el

Ass

umpt

ions

Ver

tica

l Dis

tilla

tion

Col

umn

wit

h no

Pre

ssur

e Ra

ting

, Ca

rbon

Ste

el V

esse

l, 20

Car

bon

Stee

l Si

eve

Tray

s, 5

Cou

ples

, 3 F

lang

ed M

anho

les,

5

Flan

ged

Noz

zels

Ver

tica

l Dis

tilla

tion

Col

umn

wit

h no

Pre

ssur

e Ra

ting

, Ca

rbon

Ste

el V

esse

l, 20

Car

bon

Stee

l Si

eve

Tray

s, 5

Cou

ples

, 3 F

lang

ed M

anho

les,

5

Flan

ged

Noz

zels

Ver

tica

l Dis

tilla

tion

Col

umn

wit

h a

1035

kPa

Pr

essu

re R

atin

g, C

arbo

n St

eel V

esse

l, 20

Ca

rbon

Ste

el S

ieve

Tra

ys, 5

Cou

ples

, 3

Flan

ged

Man

hole

s, 5

Fla

nged

Noz

zels


Purc

hase

Cos

ting

Cent

rifu

gal P

umps

Q(g

al/m

in)∆P(

psi)

ρ(lb

/ft3 )

H(f

t)Si

ze F

acto

rCa

paci

ty (m

3/s)

Purc

hase

Cos

t w/o

Mot

orEl

ectr

ic M

otor

Del

iver

ed P

ower

Ra

ting

(kW

)Pu

rcha

se

Cost

of M

otor

Tota

l Pur

chas

e Co

st

of P

ump

+ M

otor

Pum

p 1

(P

-100

)5.

2313

2.3

4740

5.34

105.

310.

0003

33,

597.

93$

Mot

or 1

(P-1

00)

0.40

1526

9.83

$

3,86

7.76

$

Tota

l Pu

rcha

se

Cost

3,86

7.76

$

Ass

umpt

ions

Stai

nles

s St

eel C

entr

ifug

al

Pum

p, E

nclo

sed,

Fan

-Coo

led

Alt

erna

ting

Cur

rent

Ele

ctri

c M

otor


Purchase Costing



Exchanger 1 (E-100)

120.90 200.00 5.31E+04 0.20 $ 1,256.14

Exchanger 2 (E-101)

148.80 200.00 2.85E+05 0.89 $ 1,379.23

Exchanger 3 (E-102)

103.80 200.00 6.22E+04 0.28 $ 1,281.09

Exchanger 4 (E-103)

115.40 200.00 1.18E+05 0.48 $ 1,325.63

Exchanger 5 (E-104)

123.00 200.00 2.13E+03 0.01 $ 1,022.93

Total Purchase Cost

$ 6,265.02



Exchanger 6 (E-105)

24.86 140.00 6.06E+05 16.16 $ 1,658.06

Total Purchase Cost

$ 1,658.06

Solvent Recovery System

Refrigeration Cycle

Assumptions



Assumptions











Flash Separation Process


Purchase Costing

Condenser Th,I (oF) Th,o(oF) Tc,i (

oF) Tc,o (oF)U


Duty (Btu/hr)

Surface Area (m^2)

Purchased Cost


(E-107)169.3 167.8 90 120 125 62.37 3.76E+06 44.77 9,883.11$


(E-108)318.2 314.6 90 120 125 211.00 9.93E+05 3.50 1,504.53$

Total Purchase Cost

11,387.64$

Reboiler Th,I (oF) Th,o(oF) Tc,i (

oF) Tc,o (oF)U


Duty (Btu/hr)

Surface Area (m^2)

Purchased Cost


(E-110)459.5 459.5 212 212 325 85.70 4.23E+06 14.11 1,643.79$


(E-111)459.5 459.5 345.5 345.5 250 20.38 1.27E+06 23.23 1,696.71$

Total Purchase Cost

3,340.50$



Assumptions

Assumptions



Floating Head Shell-and-Tube Heat Exchanger Design pressure: 690 kPa.

0.019-m OD X 0.025-m square pitch and 4.88-m bundle Carbon Steel Shell and Carbon Steel Tube




Purchase Costing

MixerVolumetric

Flowrate (gal/min)


Volume of Agitator

(gal)

Power Requirement (Hp)

Power Requirement

(kW)

Purchase Cost

Mixer 1 (MIX-100)

1.39 2 2.77 0.001 0.001 $ 1,367.50

Mixer 2 (MIX-101)

1.85 2 3.70 0.002 0.001 $ 1,437.81

Mixer 3 (MIX-102)

6.52 2 13.03 0.007 0.005 $ 1,787.95

Mixer 4 (MIX-103)

1366.2 2 2732.40 1.37 1.02 $ 4,512.77

Total Purchase Cost

9,106.04$

ValveVelocity

(m/s)

Volumetric Flowrate Out

(m3/s)


Diameter (m) Purchase Cost

Valve 1 (VLV-100)

3.66E-02 0.0001 0.0020 0.0500 $ 1,609.21

Valve 2 (VLV-101)

0.1286 0.0003 0.0020 0.0500 $ 1,609.28

Valve 3 (VLV-102)

0.6038 0.0012 0.0020 0.0500 $ 1,609.17

Total Purchase Cost

4,827.67$


Assumptions




Assumptions


Carbon Steel


Carbon Steel


Carbon Steel

Purchase Costing

Compressor Mass Rate

(kg/hr)


%

Power Requirement

(kW)Purchase Cost

Compressor 1 (K-100)

2019 75.00 25.48 $ 37,425.32

Assumptions

Carbon Steel Rotary Centrifugal Compressor

Drive, Gear Mounting, Baseplate, Auxiliary Equipment Included Operating Pressure up to 7000kPa


Purc

hase

Cos

ting

Dis

tilla

tion

Col

umn

Dia

met

er (m

)D

esig

n D

iam

eter

(m

)

Tray

Sp

acin

g (m

)

Num

ber

of T

rays

Leng

th o

f Co

lum

n (m

)

Colu

mn

W

all

Thic

knes

s (m

)

Purc

hase

Cos

t of

Col

umn

Excl

udin

g Tr

ays

Inst

alla

tion

Cos

t of

Tra

ysCo

uplin

gs

Co

st

Flan

ged

Man

hole

s

Cost

Flan

ged

Noz

zels

Tota

l Cos

t of

Dis

tilla

tion

Co

lum

n

Dis

tilla

tion

Col

umn

2

(T-1

02)

2.72

30.

5520

14.2

60.

0127

105,

820.

83$

35,4

50.1

4$

4,

932.

92$

$

2

1,45

3.04

$

15,

925.

45

183,

582.

37$

Dis

tilla

tion

Col

umn

3

(T

-103

)0.

921

0.55

2014

.26

0.01

91 $

71

,884

.52

11,4

80.6

5$

4,

932.

92$

$

2

5,67

7.58

$

19,

051.

97

133,

027.

64$

Tota

l Pur

chas

e Co

st31

6,61

0.02

$

Flas

h Se

para

tor

Vol

umet

ric

Flow

Rat

e

(m3 /m

in)

Resi

denc

e Ti

me

(min

)L/

D R

atio

Vol

ume

of V

esse

l

(m3 )

Dia

met

er

(m)

Leng

th

(m

)Co

uplin

gs

Co

st

Tota

l Cos

t of F

lash

Se

para

tor

Flas

h Se

para

tor 1

(V-1

00)

3.23

53

16.1

51.

905.

702,

959.

75$

14,5

36.0

8$

Tota

l Pur

chas

e Co

st14

,536

.08

$

Liqu

id-L

iqui

d Ex

trac

tor

Dia

met

er (m

)D

esig

n D

iam

eter

(m

)

Tray

Sp

acin

g (m

)

Num

ber

of T

rays

Leng

th o

f Co

lum

n (m

)

Colu

mn

W

all

Thic

knes

s (m

)

Purc

hase

Cos

t of

Ext

ract

or

Coup

lings

Cost

To

tal C

ost o

f LL

EA

ssum

ptio

ns

Liqu

id-L

iqui

d Ex

trac

tor 1

(T

-100

)0.

198

0.30

50.

6110

7.92

4.83

E-03

5,11

3.83

$

2,

959.

75$

8,07

3.58

$

Rota

ry D

isc

Cont

acto

rs

(RD

C)

Li

quid

-Liq

uid

To

tal P

urch

ase

Cost

8,07

3.58

$

Ass

umpt

ions

Ver

tica

l Dis

tilla

tion

Col

umn

wit

h no

Pre

ssur

e Ra

ting

, Ca

rbon

Ste

el V

esse

l, 20

Car

bon

Stee

l Si

eve

Tray

s, 5

Cou

ples

, 3 F

lang

ed M

anho

les,

5

Flan

ged

Noz

zels

Ver

tica

l Dis

tilla

tion

Col

umn

wit

h a

1035

kPa

Pr

essu

re R

atin

g, C

arbo

n St

eel V

esse

l, 20

Ca

rbon

Ste

el S

ieve

Tra

ys, 5

Cou

ples

, 3

Flan

ged

Man

hole

s, 5

Fla

nged

Noz

zels

Ass

umpt

ions

Ver

tica

l Pre

ssur

e V

esse

l

Carb

on S

teel

Ves

sel

O

pera

ting

Pre

ssur

e =

60kP

a


Purc

hase

Cos

ting

Cent

rifu

gal P

umps

Q(g

al/m

in)∆P(

psi)

ρ(lb

/ft3 )

H(f

t)Si

ze F

acto

rCa

paci

ty (m

3/s)

Purc

hase

Cos

t w/o

Mot

orEl

ectr

ic M

otor

Del

iver

ed P

ower

Ra

ting

(kW

)Pu

rcha

se

Cost

of M

otor

Tota

l Pur

chas

e Co

st

of P

ump

+ M

otor

Pum

p 1

(P

-100

)5.

2313

2.3

4740

5.34

105.

310.

0003

33,

597.

93$

Mot

or 1

(P-1

00)

0.40

1526

9.83

$

3,86

7.76

$

Pum

p 2

(P

-101

)1.

775.

9956

.615

.24

6.93

0.00

011

1,63

2.94

$

M

otor

1 (P

-100

)2.

63E-

04-

1,63

2.94

$

Pum

p 3

(P-1

03)

0.08

5.99

54.2

415

.903

0.30

0.00

0005

1,58

5.10

$

M

otor

1 (P

-100

)6.

17E-

03-

1,58

5.10

$

Tota

l Pu

rcha

se

Cost

7,08

5.79

$

Cast

Ste

el R

ecip

roca

ting

Pu

mp,

Mot

or In

clud

ed, a

nd a

10

35 P

ress

ure

Rati

ng

Cast

Ste

el R

ecip

roca

ting

Pu

mp,

Mot

or In

clud

ed, a

nd a

10

35 P

ress

ure

Rati

ng

Ass

umpt

ions

Stai

nles

s St

eel C

entr

ifug

al

Pum

p, E

nclo

sed,

Fan

-Coo

led

Alt

erna

ting

Cur

rent

Ele

ctri

c M

otor


Appendix D: Computer Process Modeling

Aspen HYSYS



Aspen Plus

Ternary Diagrams

UNIQUAC


Wilson


UNIFAC


NRTL


Appendix E: Economic Spreadsheets

Total Capital Investment Total bare-moldule costs CFE

Process machinery CPM

Spares Cspare

Storage and surge tanks Cstorage

Initial catalyst charges Ccatalyst

Computers, software, distributed control systems, instruments, and alarms

Ccomp

Total bare-module investment, TBM CTBM, CBMC

Cost of site preparation Csite

Cost of service facilities Cserv

Allocated costs for utility plants and related facilities Calloc

Total direct permanent investment, DPI CDPI

Cost of contingencies and contractor’s fee Ccont

Total depreciable capital, TDC CTDC

Cost of land Cland

Cost of royalties Croyal

Cost of plant startup Cstartup

Total permanent investment, TPI CTPI

Working capital, WC CWC

Total capital investment, TC CTCI


VENTURE GUIDANCE APPRAISAL=User Input =Calc by Computer

Title: Date: 12/8/09ProductUnits of Capacity kgÖperating Hours per Year 7,446Capacity: 3,768,896 kg per Year Site:Capacity: 506 kg per Hour

Item SubtotalEnter cost of Land into cell B22 on Cash Flow sheet. Cost

($k) ($k)

Bare Module Cost (BMC)/Direct Installed Cost (DIC)Engineered Equipment/Purchased

Mixers 9Valves 5Compressor 37Pumps 4

Total Engineered Equipment/Purchased&Delivered 55Misc Equipment 10% 6

Subtotal/Purchased Equipment&Delivered.................................................................................... 61

Field Mtl/Labor/Insulation 5% 10% 10% 16Field Erected EquipmentEquip Fdns,Sppts, Platforms 10% 8

Installed Equipment................................................................................................................................. 85

Factored Piping 22% 19Factored Instruments 9% 8Factored Electrical 7% 6Identified PipingIdentified InstrumentsIdentified Electrical

Subtotal/Direct Installed Cost............................................................................................................... 117

Labor/Material Split 40% L 60% MFreight, Quality Assurance, Sales Taxes 12% of Matl 8Contractor Labor Distributives 44% of Labor 21

Subtotal (Direct Installed Cost + Indirect Freight, QA, Taxes, & Overhead)........................... 146

Engg+Home Office (Additional Indirect) 15% of Total 22Subtotal (DIC Equipment Calculated from Bare Module using PE)......................................... 168

PE with FBM factors PE FBMEquipment at Bare Module Level Cost Factor

Distillation Columns 409 4.16 1,701Liquid-Liquid Extractor 8 4.16 34Heat Exchangers (Double Pipe) 16 1.8 28Heat Exchangers (Shell and Tube) 10 3.17 31

Subtotal (DIC from Total Bare Module Cost w/FBM Factors) 1,794

Misc. Equipment 10% 179Subtotal (DIC Equipment from Bare Module Costs) 2,142

Sub to ta l (D IC Equipme nt Costs).. ............................................................................................. 2,142

US Northeast

Franzanavian Designs, Inc.Acetonitrile and Toluene



Buildings, Structure 20% 428Subtotal....................................................................................................................................................... 2,570

Power, General, & Services (PG&S) 2% 51Dismantling & Rearranging (D&R) 2% 51Site Development 15% 386

Subtotal (DPI)............................................................................................................................................. 3,058

Contingency 35% 1,070Subtotal........................................................................................................................................................ 4,129

Working Conditions 3% of Labor 50Net Total...................................................................................................................................................... 4,178

Minor ChangesDirect total................................................................................................................................................... 4,178

Field Indirects of TotalSpares & Portables

Total Equipment........................................................................................................................................ 4,178

EQUIPTotal (Current $$, USGC) 4,178

Site Factor 100% of USGC Total 4,596Inflation 2.6% for 1.0 yrs 4,717Scope Growth

Total Project-Level Cost 4,717SAY 4,700

GRAND TOTAL (TPI)..................................................................................................................... $ 4,700 k

WORKING CAPITALStart-up Raw Materials Inventory

Quantity Units Price/ k/ k/ k/ k

Total k

Start-up Spare Parts: 10.0% of Investment $470 k

TOTAL WORKING CAPITAL…………………………………… $470

US Gulf Coast 1.00US Southeast 0.95US Northeast 1.10US Midwest 1.15US West Coast 1.25Western Europe 1.20Mexico 0.95Japan 1.15Pacific Rim 1.00India 0.85

Site factor table


=USER INPUT =CALC BY COMPUTER

PRODUCT:

ANNUAL CAPACITY: 3,768,896 kg per Year

INGREDIENTS: UNIT OF COST PER UNITS OF COST PER kgMEASURE UNIT INGRED/ of PRODUCT ($)

($) kg PRODUCTINGREDIENT NO. 1INGREDIENT NO. 2INGREDIENT NO. 3INGREDIENT NO. 4

SUBTOTAL INGREDIENTS

UTILITIES:HP STEAM lbMP STEAM (150 psig) kg 0.0048 1.26184431 0.006LP STEAM (50 psig) kg 0.003 4.291890757 0.013PROCESS WATER kg 0.00075 0.193454976 0.000COOLING WATER m3 0.02 0.161159288 0.003INERT GAS CFELECTRICITY kWh 0.06 0.1 0.003COMPRESSED AIR CFBOILER FEEDWATER lbWASTE TREATMENT lb 0.15 0.039089325 0.006

SUBTOTAL UTILITIES 0.031

CATALYSTS & CHEMICALSCATALYST mgPROPANECHEMICAL 2CHEMICAL 3

SUBTOTAL CATALYSTS & CHEMICALS

PACKAGING MATERIALSPACKAGING LABOR

BYPRODUCT CREDIT MMBtu

OTHER VARIABLE COSTS

TOTAL VARIABLE COST $0.031 per kg$118 k per Year

Acetonitrile and Toluene

OPERATING COST ESTIMATEVARIABLE COST


OPERATING COST ESTIMATEFIXED COST


PRODUCT:

ANNUAL AnnCap: 3,768,896 kg per Year

TOTAL INVESTMENT (TPI): $4,700 k

OPERATING LABOR & BENEFITS: ANNUAL COSTNO. of OPERATORS: 25 ($k/yr)ANNUAL WAGES $73 k PER OPERATOR 1,820EMPL. BENEFITS @ 15.0% of WAGES 273OPERATING SUPERVISION @ 17% of WAGES 300

SUBTOTAL OPERATING LABOR: 2,393OPERATING SUPPLIES: 6% of WAGES 109

MAINTENANCE:TOTAL MAINTENANCE @ 3.5% OF INVESTMENT 165MAINTENANCE LABOR@ 25.0% of TOTAL MAINT. 41MAINTENANCE MATERIAL @ 100.0% of TOTAL MAINT. 165

OVERHEAD:GEN. OH @ 22.8% of (OPR. WAGES + MAINT LABOR + OPR. SUPRV.) 493LAB &TECHNICAL SUPPORT @ 6.9% of INVESTMENT 325

CORPORATE OVERHEAD:SALES & ADMINISTRATION 2.0% of INVESTMENT 94RESEARCH & DEVELOPMNT 5.0% of INVESTMENT 235

SUBTOTAL CORPORATE OVERHEAD................................................................ 329

INSURANCE & LOCAL TAXES:3.0% of INVESTMENT 141

ROYALTIES: per annual kg of Capacity

TOTAL FIXED COST (for cash flow calculations): $ 4,745 k per Year$1.26 per kg

DEPRECIATION:of INVESTMENT

Note: Do not include Depreciation if total Fixed Cost is to be used in Cash Flow Calc.

TOTAL FIXED COST (for ROI calculations): $ 4,745 k per Year$1.26 per kg




(kW)


(kW-hr)

Unit Cost ($/kW-hr)




(kW)


(kW-hr)

Unit Cost ($/kW-hr)


Pump 1 (P-100) Electricity 0.402 2.99E+03 0.06$ 179.37$


(m3/hr)


(m3)

Unit Cost

($/m3)


Condenser 1 (E-106) Cooling Water 4.50 3.35E+04 0.02$ 670.59$ Condenser 2 (E-107) Cooling Water 56.17 4.18E+05 0.02$ 8,364.84$ Condenser 3 (E-108) Cooling Water 14.85 1.11E+05 0.02$ 2,211.46$


(kg/hr)


(kg)



Reboiler 1 (E-109) Steam, 50 psig 177.4 1.32E+06 3.00$ 3,962.76$ Reboiler 2 (E-110) Steam, 50 psig 1995 1.49E+07 3.00$ 44,564.31$ Reboiler 3 (E-111) Steam, 150 psig 638.7 4.76E+06 4.80$ 22,827.65$


(gal/hr)






(lb/hr)


(lb)


removed)




(kW)


(kW-hr)

Unit Cost ($/kW-hr)




(kW)


(kW-hr)

Unit Cost ($/kW-hr)




(m3/hr)


Volume (m3)

Unit Cost

($/m3)


($)



(m3/hr)


(m3)

Unit Cost

($/m3)





Mixers

Utility Fluid

Condensers

Compressors

Pumps

Condensers

Reboilers

Utilities: Propane Refrigeration Cycle


Waste Treatment


VENTURE GUIDANCE APPRAISAL=User Input =Calc by Computer

Title: Date: 12/8/09ProductUnits of Capacity kgÖperating Hours per Year 7,446Capacity: 3,775,784 kg per Year Site:Capacity: 507 kg per Hour

Item SubtotalEnter cost of Land into cell B22 on Cash Flow sheet. Cost

($k) ($k)

Bare Module Cost (BMC)/Direct Installed Cost (DIC)Engineered Equipment/Purchased

Mixers 9Valves 5Compressor 37Pumps 7

Total Engineered Equipment/Purchased&Delivered 58Misc Equipment 10% 6

Subtotal/Purchased Equipment&Delivered.................................................................................... 64

Field Mtl/Labor/Insulation 5% 10% 10% 17Field Erected EquipmentEquip Fdns,Sppts, Platforms 10% 8

Installed Equipment................................................................................................................................. 90

Factored Piping 22% 20Factored Instruments 9% 8Factored Electrical 7% 6Identified PipingIdentified InstrumentsIdentified Electrical

Subtotal/Direct Installed Cost............................................................................................................... 124

Labor/Material Split 40% L 60% MFreight, Quality Assurance, Sales Taxes 12% of Matl 9Contractor Labor Distributives 44% of Labor 22

Subtotal (Direct Installed Cost + Indirect Freight, QA, Taxes, & Overhead)........................... 155

Engg+Home Office (Additional Indirect) 15% of Total 23Subtotal (DIC Equipment Calculated from Bare Module using PE)......................................... 178

PE with FBM factors PE FBMEquipment at Bare Module Level Cost Factor

Distillation Columns 317 4.16 1,317Liquid-Liquid Extractor 8 4.16 34Flash Drum 15 4.16 60Heat Exchnagers (Double Pipe) 13 1.8 23Heat Exchnagers (Shell and Tube) 10 3.17 31

Subtotal (DIC from Total Bare Module Cost w/FBM Factors) 1,465

Misc. Equipment 10% 147Subtotal (DIC Equipment from Bare Module Costs) 1,790

Sub to ta l (D IC Equipme nt Costs).. ............................................................................................. 1,790

US Northeast

Franzanavian Designs, Inc.Acetonitrile and Toluene



Buildings, Structure 20% 358Subtotal....................................................................................................................................................... 2,148

Power, General, & Services (PG&S) 2% 43Dismantling & Rearranging (D&R) 2% 43Site Development 15% 322

Subtotal (DPI)............................................................................................................................................. 2,556

Contingency 35% 895Subtotal........................................................................................................................................................ 3,451

Working Conditions 3% of Labor 41Net Total...................................................................................................................................................... 3,492

Minor ChangesDirect total................................................................................................................................................... 3,492

Field Indirects of TotalSpares & Portables

Total Equipment........................................................................................................................................ 3,492

EQUIPTotal (Current $$, USGC) 3,492

Site Factor 100% of USGC Total 3,841Inflation 2.6% for 1.0 yrs 3,942Scope Growth

Total Project-Level Cost 3,942SAY 4,000

GRAND TOTAL (TPI)..................................................................................................................... $ 4,000 k

WORKING CAPITALStart-up Raw Materials Inventory

Quantity Units Price/ k/ k/ k/ k

Total k

Start-up Spare Parts: 10.0% of Investment $400 k

TOTAL WORKING CAPITAL…………………………………… $400

US Gulf Coast 1.00US Southeast 0.95US Northeast 1.10US Midwest 1.15US West Coast 1.25Western Europe 1.20Mexico 0.95Japan 1.15Pacific Rim 1.00India 0.85

Site factor table


OPERATING COST ESTIMATEVARIABLE COST


PRODUCT:

ANNUAL CAPACITY: 3,775,784 kg per Year

INGREDIENTS: UNIT OF COST PER UNITS OF COST PER kgMEASURE UNIT INGRED/ of PRODUCT ($)

($) kg PRODUCTINGREDIENT NO. 1INGREDIENT NO. 2INGREDIENT NO. 3INGREDIENT NO. 4

SUBTOTAL INGREDIENTS

UTILITIES:HP STEAM lbHP STEAM (150 psig) kg 0.0048 1.26 0.006LP STEAM (50 psig) kg 0.003 3.93 0.012PROCESS WATER kg 0.00075 0.73 0.001COOLING WATER m3 0.02 0.15 0.003INERT GAS CFELECTRICITY kWh 0.06 0.2 0.009COMPRESSED AIR CFBOILER FEEDWATER lbWASTE TREATMENT lb 0.15 0.04 0.006

SUBTOTAL UTILITIES 0.0368.949397 66637.208

CATALYSTS & CHEMICALSCATALYST mgPROPANECHEMICAL 2CHEMICAL 3

SUBTOTAL CATALYSTS & CHEMICALS

PACKAGING MATERIALSPACKAGING LABOR

BYPRODUCT CREDIT MMBtu

OTHER VARIABLE COSTS

TOTAL VARIABLE COST $0.036 per kg$136 k per Year



OPERATING COST ESTIMATEFIXED COST


PRODUCT:

ANNUAL AnnCap: 3,775,784 kg per Year

TOTAL INVESTMENT (TPI): $4,000 k

OPERATING LABOR & BENEFITS: ANNUAL COSTNO. of OPERATORS: 25 ($k/yr)ANNUAL WAGES $73 k PER OPERATOR 1,820EMPL. BENEFITS @ 15.0% of WAGES 273OPERATING SUPERVISION @ 17% of WAGES 309

SUBTOTAL OPERATING LABOR: 2,402OPERATING SUPPLIES: 6% of WAGES 109

MAINTENANCE:TOTAL MAINTENANCE @ 3.5% OF INVESTMENT 140MAINTENANCE LABOR@ 25.0% of TOTAL MAINT. 35MAINTENANCE MATERIAL @ 100.0% of TOTAL MAINT. 140

OVERHEAD:GEN. OH @ 22.8% of (OPR. WAGES + MAINT LABOR + OPR. SUPRV.) 493LAB &TECHNICAL SUPPORT @ 6.9% of INVESTMENT 276

CORPORATE OVERHEAD:SALES & ADMINISTRATION 2.0% of INVESTMENT 80RESEARCH & DEVELOPMNT 5.0% of INVESTMENT 200

SUBTOTAL CORPORATE OVERHEAD................................................................ 280

INSURANCE & LOCAL TAXES:3.0% of INVESTMENT 120

ROYALTIES: per annual kg of Capacity

TOTAL FIXED COST (for cash flow calculations): $ 3,821 k per Year$1.01 per kg

DEPRECIATION:of INVESTMENT

Note: Do not include Depreciation if total Fixed Cost is to be used in Cash Flow Calc.

TOTAL FIXED COST (for ROI calculations): $ 3,821 k per Year$1.01 per kg




(kW)


(kW-hr)

Unit Cost ($/kW-hr)




(kW)


(kW-hr)

Unit Cost ($/kW-hr)


Pump 1 (P-100) Electricity 0.402 2.99E+03 0.06$ 179.37$ Pump 2 (P-100) Electricity 2.63E-04 1.96E+00 0.06$ 0.12$ Pump3 (P-100) Electricity 6.17E-03 4.59E+01 0.06$ 2.76$

Flash Drum Utility Type Power Requirement

(kW)


(kW-hr)

Unit Cost ($/kW-hr)


Flash Drum 1 (V-100) Electricity 49.28 3.67E+05 0.06$ 22,016.33$


(m3/hr)


(m3)

Unit Cost

($/m3)


Condenser 2 (E-107) Cooling Water 56.17 4.18E+05 0.02$ 8,364.84$ Condenser 3 (E-108) Cooling Water 14.85 1.11E+05 0.02$ 2,211.46$


(kg/hr)


(kg)



Reboiler 2 (E-110) Steam, 50 psig 1995 1.49E+07 3.00$ 44,564.31$ Reboiler 3 (E-111) Steam, 150 psig 638.7 4.76E+06 4.80$ 22,827.65$


(gal/hr)






(lb/hr)


(lb)


removed)




(kW)


(kW-hr)

Unit Cost ($/kW-hr)




(kW)


(kW-hr)

Unit Cost ($/kW-hr)




(m3/hr)


Volume (m3)

Unit Cost

($/m3)


($)



(m3/hr)


(m3)

Unit Cost

($/m3)





Pumps

Utility Fluid

Condensers

Condensers

Reboilers

Flash Separators


Waste Treatment

Utilities: Propane Refrigeration CycleCompressors

Mixers

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