life cycle analysis with application to consumer products and pharmaceuticals

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Life Cycle Analysis with Application to Consumer Products and Pharmaceuticals

A three session introduction to performing and interpreting a life cycle analysis

David Hitchcock, Mariano J. Savelski, C. Stewart SlaterRowan University, Department of Chemical Engineering, Glassboro, NJ 08028

September 2011

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Three Sessions OverviewSession 1

◦Overview of Life Cycle AnalysisSession 2

◦How to use environmental assessment software, SimaPro®

Session 3◦Modeling processes in SimaPro®

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SESSION 1Life Cycle Analysis General Concepts

4

OverviewDefining LCI and LCAThe steps of performing a life cycle analysisDefining the goal and scope of your project

◦What do you hope to achieve and what the boundaries of the project are

The basics of process modelingAn introduction to environmental impact

assessment

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LCI – Life Cycle LCA- Life Cycle Inventory Analysis

Summary of all the emissions associated with the product or energy used

Based on 1kg of the product or 1 MJ of energy

Summary of all the emissions associated with the entire process◦ Raw materials

manufacturing◦ Energy used◦ Waste Treatment

Multiply the inventory by the quantity used to generate the LCA

i

ii QLCILCAi= individual contributorsQ= quantity of i

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Performing an LCAThere are four main phases in an LCA.1. Defining the goal and scope2. Inventory assessment• The methods for phases 1 and 2 have been

standardized as can be found in ISO 14040 – ISO 14043. Standards are followed because it is the most widely accepted method for completing your project. Following the standards gives your results more credibility.

Available for purchase from http://www.iso.org/ The International Standards Organization website

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Performing an LCA3. Impact assessment

◦ A quantification of how the product or process affects the environment e.g. CO2 emissions, heavy metals, and land occupation

4. Interpretation of Results

Phases 3 and 4 have not been standardized. Make sure to use the same method for these phases throughout the entire project to maintain validity and credibility.

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The GoalConsider the following:

◦Why is this study being performed? Do you want to know the overall environmental impact or just

one component of it such as CO2 emissions?

◦What is its application? The results may be used for economic reasons such as a CO2

tax The results may be used as a basis for changing the process or

raw materials used to decrease the environmental impact◦Who will see the results?

If the results are for the public, keep details such as specific chemicals and processes hidden while still providing accurate results

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Defining the ScopeThe scope is defined by:

◦ The boundaries that you set for the process Where your assessment starts and ends

◦ The basis of comparison e.g. amount produced, amount required for a specific purpose, or a specified amount such as 1kg of product

◦ Will you ignore the production of useful byproducts or consider it?

◦ What environmental impacts are considered and how they are calculated

◦ The data that will be required and quality of it What data do you need that is missing and what assumptions can you

reasonably make? How accurate do you want the missing data to be?

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Life Cycle Assessment

The life cycle of a product includes many inputs. The raw materials and the energy required for every process contribute to the emissions and cost associated with a product

An LCA can be performed over any boundary

Raw Materials Material Processing

Product manufacturing Use Disposal

CradleWhere all raw materials begin

GateWhere everything enters the plant

GraveThe end of the product’s life

Gate Where everything exits the plant

Recycle Re-manufacture Re-use

Material extraction

Material processing

Manufacturing Use Waste management

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Things to Consider for the System BoundaryWhere the analysis begins and endsInputs and outputs in the manufacturing/process sequenceProduction and use of fuels, electricity, and heatManufacture, maintenance and decommissioning of

process equipmentRequirements to run the plantProcess waste disposalManufacture of useful byproductsDistribution/transportation of productPost production utilizationRecovery and recycling of used products

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The Basis of an LCATo examine the environmental impact associated

with a product you need to choose a basis◦1 kg of product is a typical basis for an LCA, but

many other bases can be usedThis is necessary when comparing different

products or processes◦Comparing products that serve the same purpose e.g.

alkaline and rechargeable batteries◦Comparing different processes for making the same

product e.g. making fudge by hand or in a factory

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The Basis for Product Comparison

When comparing different products it is useful to define the basis as the product’s utility

For example compare rechargeable NiMH and alkaline batteries◦Use the lifetime of 1 pack of rechargeable batteries as the basis

◦500 packs of alkaline batteries have the same lifetime as 1 pack of rechargeable batteries

1 pack of Rechargeable Batteries

1 pack of Alkaline Batteries

~500 recharges n/a

4 batteries ~60g 4 batteries ~60g

0.0162MJ to recharge n/a

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The Basis for Product Comparison contd.

1 pack of Rechargeable

500 packs of Alkaline Difference (A-R)

Total Emissions, kg 4.62 2,210 1,650

Total Energy Required, MJ 88.4 28,300 28,200

Final Cost to Consumer, USD 19.69 2,745.00 2,725.31

This is the comparison using 750mAh, 1.2V NiMH batteries and a comparable AAA alkaline batteryo It takes 0.0045 kWh to recharge four of these batteries, or 1 packo NiMH batteries cost $15.99 while Alkaline batteries cost $5.49o The average U.S. electricity cost for 2011 was used (0.127$/kWh)o It was assumed that the two types of batteries were produced

using very similar processes so the raw materials and waste are the same

o This is only a comparison of the production and energy consumption of batteries

For this basis of comparison, the rechargeable batteries have a lower environmental impact and overall cost to the consumer.

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The Basis for Process Comparison

When comparing processes it is useful to define the basis as the process output (product unit)

For example compare the environmental impact associated with the production of 1 kg of fudge by two different production routes

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Useful ByproductsYou can either ignore these or consider

them in you analysisIf you choose to consider them:

◦Know how much is produced◦Calculate or research the environmental impact

associated with the production of the byproducts This is based on a process where your byproducts are

the desired product◦Credit this impact to your process

Account for by subtracting from the final LCA

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Environmental Impacts Considered

Provided for youThe project sponsor

or your client often provides the environmental impacts to examine

Not provided for youYou have to chose the

environmental impact(s)◦ Air emissions◦ Water emissions◦ Soil emissions

Each category has individual emissions such as CO2, NOx, VOCs, and heavy metals

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The Basics of an LCIThe LCI data may be provided to you by

your professor or sponsorIf this is not the case you can generate the

LCI (shown in sessions 2&3) or you can research for the required data◦ http://www.cpm.chalmers.se/CPMdatabase/Start.asp

This site provides LCIs of many products and processes

◦Specific literature such as The International Journal of Life Cycle Assessment

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LCI TablesBelow is one type of table used to summarize the LCIs

of compounds and manufacturing processesCategory Units NotesTotal Raw Materials Used KgTotal Water Used Kg

Total CEDMJ-

equivalent

Cumulative Energy Demand includes all energy required for raw material production/ manufacture, in process energy, and waste management energy.

Total Air Emissions KgCO2 Kg

These are examples of air pollutants that are commonly reported individually

CO KgMethane Kg

NOX KgNMVOC Kg

Particulates KgSO2 Kg

Total Water Emissions KgVOCs Kg A commonly reported water emission

Total Soil Emissions KgTotal Emissions Kg Air + Water + Soil emissions

Note: the table can be organized in any way, such as individual pollutants or types of energy used

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Jar of Peanut Butter Process Map

Peanuts

Sugar

Oil

Glass

Polypropylene

Paper

Ink

Roasting/Grinding

Mixing

Cardboard

Film

Box printing/ forming

Distribution Center

Retailer

User Storage and consumption

Waste

Carton Recycling

Jar Production

Lid Production

Printer

Shrink Wrapping

Carton Packaging

Individual Packaging



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A Closer LookEach box in the manufacturing section of the

process map is simplifiedBelow is a general diagram of a

manufacturing process

Manufacturing Process Waste Management

EmissionsEmissions Product

Raw Materials Manufacture

EnergyEnergy

Emissions

Energy RawMaterials

RawMaterials

Waste

RawMaterials

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Lets Make Chocolate Fudge! What are the required ingredients?

◦ Milk, chocolate, sugar, corn syrup, salt, butter, additional flavors e.g. nuts, vanilla, mint

How is the fudge made?◦ Melt chocolate with milk◦ Mix the sugar, corn syrup, and salt◦ Boil the mixture◦ Mix in butter and flavoring◦ Allow to cool◦ Cream the fudge by aerating it◦ Allow to cool and form into desired shape

What materials are used for packaging?◦ Paper, cardboard, and ink

What about distribution and sales?◦ Distribution Center-> Retailer -> Consumer◦ Sold directly to the consumer

Waste and recycling of packaging

http://www.fudge-recipe.com/old-fashioned-fudge-recipe.html

http://www.amfudge.co.za/how_is_fudge_made_.html

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Fudge Process Map

Milk

Chocolate

Sugar

Corn SyrupSalt

Butter

Flavors

Mixing/MeltingMixing/BoilingCooling

Creaming

Cooling/Shaping

Paper

CardboardInk

Box printing/forming

Packaging

Distribution Center

Retailer

User Storage and consumption

Waste

Carton Recycling



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Breakfast LCACalculate the LCA of an individual serving of breakfastGiven:

◦ LCIs for each component Milk, oat flakes, water, and boiling water (for oatmeal)

Component Amount

Milk 0.300 L (1 glass of milk)

Oat Flakes 0.040kg

Water 0.237 L

Energy for Boiling Water 0.237 L of water boiled

Amounts neededfor one bowlof oatmeal

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Breakfast LCI’sLCIs of each breakfast component

Milk, 1 kg Oat Flakes, 1 kg Water, 1 L

Energy for Boiling Water, 1 L boiled

Raw Materials Used, kg 1.03E+00 1.51E+00 1.04E-03 3.85E-01Water Used, kg 5.68E+01 8.43E+01 1.09E+00 1.60E+00Total Emissions, kg 3.29E-01 4.80E-01 2.41E-04 1.16E-01

Air, kg 2.97E-01 4.73E-01 2.41E-04 1.16E-01Water, kg 3.16E-02 6.06E-03 3.26E-07 1.01E-04Soil, kg 3.35E-05 4.52E-05 1.01E-08 4.66E-06

CO2, kg 2.68E-01 4.64E-01 2.40E-04 1.16E-01CED, MJ 3.90E+00 1.49E+00 3.26E-03 1.54E-00

e

i

w

iiii

r

iii LCAWELCIRLCI )()(

Energy and waste are already included in these LCIs so they do not need to be added to the LCA

The milk LCI can be traced back to the beginning of a farm

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Calculating the LCA

R = Amount of Raw Material used in manufacture of the chosen basis of product

E = Energy used to produce the chosen basis of product W = Waste emissions associated with producing the chosen basis

of product r = number of raw materials e = different type of energy used w = number of waste streams that are sent to waste treatment

e

i

w

iiii

r

iii LCAWELCIRLCI )()(

Raw Materials Process Energy Disposal

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Breakfast LCA

0.300 L Milk

0.040 kg Oat Flakes

0.237 LWater

Energy for boiling 0.237 LWater Total

Raw Materials Used, kg 3.16E-01 6.02E-02 2.46E-04 9.13E-02 4.68E-01Water Used, kg 1.74E+01 3.37E+00 2.59E-01 3.79E-01 2.14E+01Total Emissions, kg 1.01E-01 1.92E-02 5.71E-05 2.75E-02 1.48E-01

Air, kg 9.12E-02 1.89E-02 5.70E-05 2.75E-02 1.38E-01Water, kg 9.68E-03 2.42E-04 7.73E-08 2.40E-05 9.95E-03Soil, kg 1.03E-05 1.81E-06 2.41E-09 1.10E-06 1.32E-05

CO2, kg 8.20E-02 1.86E-02 5.69E-05 2.74E-02 1.28E-01CED, MJ 1.20E+00 5.94E-02 7.72E-04 3.65E-01 1.62E+00

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Breakfast LCA

Total Emissions contributed to breakfast by each ingredient

0.148 kg total emissions

Milk; 1.01E-01

Oat Flakes; 1.92E-02

Water; 5.71E-05

Boiling Water; 2.75E-02

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Questions?

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SESSION 2Using SimaPro® 7.2 multiuser

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OverviewWhat is SimaPro®

How to use the program◦Generating an LCI◦Modeling your own process

Some specific components of SimaPro® are explained along the way

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SimaPro®

SimaPro® is a detailed environmental analysis tool◦ Used for a product or process

Products and processes are called processes in this program

◦ Quantification of the raw material, energy use, and emissions to the air, water, and soil

◦ Characterization of environmental impacts◦ The databases contain many common products and processes,

but not everything Products and processes not already in the databases need to be evaluated differently

as discussed later

A free trial of the Software is available at http://www.pre.nl/content/download-simapro-7

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What SimaPro® ContainsDatabases

◦Inventory of the data in SimaPro®

Substances, “processes”, units, conversion factors, environmental impact categories, projects, libraries

Projects (what you will be working on)◦The data used in a specific project

Library◦Data available for use in all projects

General data◦Data such as substances and units

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Starting SimaPro®

For use in Rowan HallStart->All Programs->SimaPro 7.2

Multiuser->SimaPro 7.2 Multiuser

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This is the opening screen of SimaProClick to proceed

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You will then be presented with this screen where you can select the server that you will use

For the first time, there will be no servers◦ You will need to add the server(s) you wish to use.

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1. Click

2. In the new window that appears click

3. In this window enter the server name

◦ Our server is “specter” 4. Click

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5. Click

6. Make sure that “Professional” is highlighted as shown to the left

◦ This is the most current version

7. Click

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8. Wait for the database to finish loading

9. Select a user◦ Select Expert, user ##, or

Manager whenever possible Expert can view and edit all

expert, practioner, and visitor projects

Manager and user## can view and edit all projects in the database

Practioner can only open projects on that level and default tutorials, but can create projects

Visitor can only open default tutorials and cannot create projects

10. The Password is the username◦ Ex. The password for Expert is

“expert”

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11. The Project selection window will appear◦ From here you can select an existing project or

create your own12. To open and existing project click

To create a new project click

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13. When creating a new project this screen will display

◦ Enter the name of your project

Use a concise and descriptive name like “Slater LCA Tutorial”

14. Click

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• This is a screen similar to what you should see after following the previous steps

• This is the main screen of SimaPro® (the LCA explorer screen) where you are able to do everything SimaPro® is capable of

• Note that this is the processes tab of the LCA explorer

The top bar

The far left bar

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Project Management◦Create a new project◦Open an existing project◦Close the current project

Save the current item being editedPrint the current itemCut the selectionCopy the selectionPaste the selectionFind an item within SimaPro®

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Editing tools◦Inserts a new line for input◦Deletes the currently selected input line

Used when creating a process in SimaPro®

Expression tools◦In SimaPro® the user can input mathematical

expressions instead of numbers Displays the expressions entered and their results Updates all expressions (This is automatically done

by default)

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Analysis Shortcut tools◦The analysis options are discussed in detail later

Performs a network analysis Performs a impact assessment analysis Compares the selected processes using an impact

analysisSimaPro® tools

◦Shows the LCA explorer window◦This button allows you to view the data from all

of the projects This button is only available for the “manager” and

“user##” users because they can view all processes It does not allow you to edit processes from other

projects, only view and analyze them

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The far left bar provides links to use for navigating the program

Wizards◦This provides some pre-loaded

tutorials and an LCA-wizard that you can use when creating a new LCA model

Goal and Scope◦ “Description” allows you to define

and view a description of the current project

◦ “Libraries” displays the list of libraries and allows you to select which libraries are used in the project

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Inventory◦ “Processes” is the window that was shown

earlier where you can navigate through the processes available in your project

◦ “Product stages” allows you to define what processes are included in the different stages of your process (assembly, life cycle, disposal, disassembly, and reuse)

◦ “Waste types” displays a list of the different types of waste management available in SimaPro®

These are labels that tell SimaPro® how to treat the waste produced by a process

◦ “Parameters” allows the user to define variables, both independent and dependant, for use in the LCA model These can be used in expressions for process

inputs/outputs

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Impact assessment◦“Methods” displays a list of the

available impact assessment methods You can create your own methods

tailored to your requirements◦“Calculation setups” displays a

list of the available calculation methods You can create a setup to display the

results that you choose in a specific format so that all repeat calculations are presented the same way

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Interpretation◦“Interpretation” allows the user

to input an interpretation of the data

◦“Document Links” provides links to the documentation that corresponds to the selected libraries

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General Data◦“Literature references” displays a

list of the literature cited by the libraries in use

◦“Substances” displays a list of the available substances

◦“Units” displays a list of the units used in SimaPro®

◦“Quantities” displays the units sorted by what physical quantities they represent

◦“Images” displays all of the images used by the selected libraries including images of processes

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The LibrariesConsist of critically reviewed data used

by researchersContains the LCI data for products and

processesOur version of SimaPro® does not allow

users to edit these

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Click on the Libraries tab This is the Libraries tab of

SimaPro®

The checked boxes indicate that the library is active and its contents are available for use

These are all of the libraries available at Rowan

Now returning to the processes tab

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Here you can navigate through the processes1. Find the type of process you want and click the2. Continue to navigate through the subcategories by

clicking each sequential 3. Scroll though the list of processes to find the one that

you want

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Alternatively you can view all processes at once by having this box checked

To find a process from here you need to know what the process is called

1. Sort the processes by name by clicking here

2. Click any process name3. Type the first few letters of

your desired process e.g. “meth”

4. Scroll around to find your specific process e.g. Methanol, at plant/GLO U

5. You can similarly find the processes from a specific project

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Viewing a ProcessYou can double click a process name, for

example, Methanol, at plant/GLO U, to view all of the inputs for that process and known outputs

You can also view its attributeso Date of creation, who created it, comments from the

creator, inputs, outputs, and basis are the most useful attributes

GLO indicates global production valuesU indicates that this is a unit process

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Double click here

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The inputs from nature

The inputs from the technosphere (manufacturing processes and resources)

The inputs from the technosphere (manufacturing heat and electricity

Direct emissions to the environment

Process information and the amount produced

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From this input screen you can see that the methanol is produced from natural gas and a catalyst of various metals

There is also cooling water and deionized waterThere is an electricity input that indicates that some electrical equipment is

used in production

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These are the emissions that are associated with only the process for methanol production, not raw materials

This particular process only has water and airborne emissions After generating the LCI, you will see the total life cycle emissions including raw

materials extraction and processing

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The Comments provide information about how the data was generated and assumptions that were made

Contact information about the reference source

The process name

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Country CodesMost process names are followed by a

country code◦Methanol, at plant/GLO U

The following slides show what each country code is

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System (S) vs. Unit (U) ProcessesMany processes have two versions

◦E.g. Methanol, at plant/GLO U and Methanol, at plant/GLO S

Both processes will give the same resultsSystem processes use the LCI as the inputUnit processes use the products and processes

used to make the product as the input◦E.g. the chemicals and raw materials used such as

natural gas and water◦Presents data in a more manageable and easy to

understand format

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Generating an LCIProcesses in SimaPro®

◦Find the process that you wish to use◦Right click and select analyze

Shown on the next slide◦You could click analyze in the top bar too.

Other processes◦Research (Kirk Othmer, journal articles, patents, etc.)◦Gather data from the manufacturer◦Create your own process using these data

Explained in session 3

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1. Right click the process name to bring up the context menu

2. Then select “Analyze”

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This screen will appear after clicking “Analyze”

Double click here to choose the

impact assessment

method

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Select one of these methods by double clicking the name

Always use the same method throughout the project

Each method calculates environmental impact differently

IMPACT 2002+ is the most current and accurate◦ Use this if you are

unsure which to choose◦ Includes non-

renewable energy calculation

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Impact AssessmentEvaluation of the magnitude and

significance of potential environmental impacts

This is not standardized◦No absolute scale for impact assessment has

been defined◦Use the same method for all impact

assessments performed for your project

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Impact Categories

Impact 2002+ Both Ecoindicator 99

•Carcinogens•Land Use/Occupation•Minerals•Ozone Layer•Radiation•Respiratory Organics / Inorganics

•Non-carcinogens•Aquatic ecotoxicity•Terrestrial ecotoxicity•Terrestrial acid•Aquatic acidification•Aquatic eutrophication•Non-renewable energy

•Fossil Fuels•Climate Change•Ecotoxocity•Acidification / Eutrophication

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Eco-indicator and Impact 2002+

Eco-Indicator

Displays long term effects

Impact 2002+

Displays immediate effects

Immediate effect on environment (Midpoint)

Climate Change (sometimes calculated as a long term effect)

Kg CO2 Each greenhouse gas is equated to kg of CO2

Ozone Depletion Kg CFC-11 Each chemical is equated to kg of CFC-11

Human Toxicity Kg 1,4-DB (1,4 dichlorobenzene) The damage of each chemical equated to kg 1,4-DB regardless of how it is contacted withEcotoxicity Kg 1,4-DB (1,4 dichlorobenzene)

Acidification Kg SO2 Each acidifying chemical is equated to kg of SO2

Eutrophication Kg N Each chemical is equated to kg of N

Respiratory Inorganics Kg PM10 The damage associated with particles where D>10 µm

Ionizing Radiation Bq C-14 All radioactive energy is equated to BQ for a C-14 nucleus

Nonrenewable energy MJ Primary Nonrenewable energy is measured in the MJ of primary energy extracted by a process

Long term effect on environment (Endpoint)

Human Health DALYs Disability Adjusted Life Years, the total years of healthy life lost

Ecosystem Quality PDF•m2•years Potentially Disappeared Fractions of a square meter over a year

PAF•m2•years Potentially Affected Fractions of a square meter over a year

Resources MJ Primary MJ of energy

MJ Surplus MJ of energy required to mine/refine harder to reach/lower quality ores

Typical Units for Impact Assessment

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Now Click Calculate to analyze the

environmental impact

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1. This loading bar will pop up

2. Then you will see a chart similar to this

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You are here

This is where you will find the LCI data

This shows a network analysis

These are the different categories of

environmental impact

This bar allows you to navigate the different data analysis options

We are going here

next

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This shows all of the impact categories on one bar to show the relative magnitude of each one. Notice The most impact is on non-renewable energy, and the smallest impact is on aquatic acidification and eutrophication

You can also show the long term impact categories by un-checking the “Per impact category” box

The global warming band starts at 30 µPt and ends at 97.6 µPt so the impact is 67.6 µPt.

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This shows all of the long term impact categories on one bar to show the relative magnitude of each one. Notice how resources are impacted the most by methanol

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Data Analysis OptionsSimaPro provides a few options for

presenting the results◦Network◦ Impact Assessment (the bar charts you just saw)◦ Inventory◦Process Contributions

Each option is useful for a specific purposeTo navigate between them, use the tabs at

the top of the screen

View this next

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Network Analysis Screen

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Shows the inputs for the process and gives a visual representation of each input’s contribution to the overall impact of the process◦ Useful for evaluating a process to reduce its

environmental impact You can change what the network analysis shows

by selecting different options from the menus shown below

You can also choose to show either the cumulative contribution of all feeding processes to the total impact or the percentage contribution by clicking one of these two buttons. By deselecting both, you will see the contribution by only that process

Network

Represented Quantity Units

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Network – Choosing the Impact Shown1. You can choose to

show an inventory item or any of the impact categories by choosing from this drop down list (we’ll show an inventory item)

2. Double click here3. Find your desired

impact by navigating through the categories on the left then the impacts on the right

◦ Alphabetically listed

4. Double click your desired impact

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Network – Choosing cut off levelsYou can choose to show more or less

processes by cutting off processes that contribute less than a certain percentage

Use the arrows or type in your desired cut off percentage here

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System ProcessesThe system process

will display aggregate results in one box

There is no way to tell where in the production of methanol most of the emissions are coming from

The bottom box is a legend for all boxes shown in a network analysis

The diagram display the impact on global warming in kg CO2 -eq

Quantity produced/consumedProcess/Product name

Quantity of current inventory/impact

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16.4 MJNatural gas, high pressure, at

Consumer /RER U

0.141

7.7 MJNatural gas, burned in

Industrial furnace low-NOx>100kW /RER U

0.517

1 kgMethanol, at plant/GLO U

0.669

0.45 m3Natural gas, at long-distance

Pipeline /RER U

0.129

0.154 m3Natural gas, production RU, at long-distance pipeline/RER U

0.0851

Unit ProcessesThe Overall environmental impact is

the same as it was in the system process

This shows the flow of the process and how each part of the process contributes to the overall impact◦ The arrows’ direction indicates the flow

directionNotice that the top two boxes do not

add to the amount in the top box.◦ This diagram has a cut off of 10%, so

many of the processes are not included which account for the remainder

The diagram displays the impact on global warming in kg CO2 -eq

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Consumer /RER U

0.141



0.517


0.669


Pipeline /RER U

0.129


0.0851

Unit Processes – Process Stages

Stage 1: These products and processes are directly used to form the product or process being analyzed


Stage 2: These products and processes are directly used to form the products or processes in stage 1

Stage 3: These products and processes are directly used to form the products or processes in stage 3

Stage 4: etc…

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Consumer /RER U

Change



Change


0.669


Pipeline /RER U

Change


Change

Unit Processes – None Selected


Each of the boxes displays the impact of only the process or product that is represented in the box

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Consumer /RER U

0.141



0.517


0.669


Pipeline /RER U

0.129


0.0851

Unit Processes – Summation Selected


Each of the boxes displays the cumulative impact of all of its contributing processes.

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Consumer /RER U

Change



Change


100%


Pipeline /RER U

Change


Change

Unit Processes – Percentage Selected


Each of the boxes displays the cumulative impact of all of its contributing processes as a percentage of the total for the overall process

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Consumer /RER U

0.141



0.517


0.669 Unit Processes – product flowNotice how natural gas

from box “B” flows to box “C” and box “A”

To see this in more detail, right click on the box and select “Display flow of …”


B C

A

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Consumer /RER U

16.4



7.72


16.4 Unit Processes – product flowNow you see the flow of “Natural

gas, high pressure, at consumer /RER U” in the whole process

This shows that 16.4 MJ of this natural gas is used overall in the methanol process◦ 7.72 MJ of this natural gas are burned in

a low-NOx industrial furnace >100kWThis analysis can be performed on

any part of the process you are viewing to see the flow of that component

The diagram displays MJ of Natural gas, high pressure, at consumer /RER U

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Impact Assessment The graph shows the

relative impact for each component◦ Useful for

determining the main contributors to each impact category

The table will show the absolute impact for each component

To generate the table click the show table button◦ This gives you

absolute values for each category

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Inventory This is the

comprehensive list of the environmental impact that this process has a.k.a. the LCI

From this screen you can create charts from the data

This can also be exported to Excel for easier handling◦ Make sure that the

default units box is checked first

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Charts from the inventory1. Click on the “Indicator” box

here 2. Select Characterization

◦ This allows you to view the data in the impact categories without any weighting

◦ Any choice other than inventory can display charts

3. Click on the “Category” box4. Choose your desired impact

category e.g. “Global warming”

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Charts from the inventory

5. Now the Chart button will be available6. Click the chart button7. You can choose “skip unused” to remove

all components that have “0” contributions8. You can also choose to exclude long-term

environmental effects

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• This screen will appear after clicking the chart button• This is a bar chart showing how each of the components in the

LCI contribute to global warmingo Very few are visible because many of them contribute

negligibly to global warming• The first thing you should do to make this more readable is adjust

the cut-off• Increase it until you feel the chart is readable and informative

(0.1% for this example)• You could also select “skip unused” as shown before

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• Now you can see multiple bars and read the chart

• You can add labels to each bar by entering the chart options by clicking here

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• Now you can see the values for each bar

• You can also view a pie chart by clicking the “show pie chart” button

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• This is the resulting pie chart

• Each chart can be exported as an image or copied as an image. Both options give an un-editable image.

• Now go back to the inventory by selecting inventory in this bar

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Process ContributionsThis represents the

network data in a tabular form

You can view the amounts used or the contributions to an impact category

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Process ContributionsYou can select what

is shown using the drop down menu, we’ll show global warming

1. Select “Characterization”

2. Select “Global warming”

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Process ContributionsFrom here you can

see the total contribution of the process

You can also see the contribution of each individual process used

You can also view this as a chart

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Click here to view this as a pie chart.

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Exporting the LCI to ExcelClick file at the top left then

select exportThis will present you with

options for how to export the inventory

You can choose from:◦Excel file◦Text file

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Exporting the LCI to ExcelThis screen will appearFind the folder that you wish

to save the excel file inGive it a descriptive nameSave the file as type “Excel

files (*.XLS)”With an Excel file, you could

use your own template to organize the data, or you could use Excel to create charts and tables from the data

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Making sense of it allNow you can open your Excel file (shown

on the next slide)You will also want to open the LCA

manufacture template◦At Rowan University, this is found in the

following location: \\150.250.64.127\public\Pfizer\SimaPro Tutorial

◦This Excel file will take the file that SimaPro®

created and put it into an easier to understand format

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This is the file that you just created

You can see that there is a large amount of data in this file◦659 substances are recorded

here

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This is the manufacture templateMany of these cells contain functions

designed to organize the data in your file and gather it together in an easy to understand table as shown in the following slides

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For the template to work, your data must be in a specific format◦ The default units must have been used

as stated before◦ The total amounts need to be in column

“E” This is typically the case, but make sure it is If there is only one substance, you won’t

need to worry about this For multi-substance processes there is a total

column and a column for each component of the process Make sure that the total column is in column “E”

of the spreadsheet

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In the SimaPro® generated Excel file1. Select columns “A” – “E”2. Copy these columns

In the template3. Select cell “A1”4. Click paste5. Scroll to “Y12” to see the

output

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6. Navigate to cell “Z34”

This cell requires an input from SimaPro®

It is used to calculate the CED for the process

7. Return to SimaPro8. Find the

nonrenewable energy required in SimaPro®

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6. Click the impact assessment tab

7. Click the characterisation button

8. Find the Non-renewable energy

9. Enter the non-renewable energy value from SimaPro®

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The Resulting TableNotes about the table

Template Output Units Comments

Raw Materials Used 0.834 kg Water Used 554 kg Emissions 0.654 kg Total emissions i.e. Air + water + soilAir 0.647 kg Total Air Emissions. Values from SimaPro® in m3 are converted to kg.Water 0.00639 kg Total Water Emissions. Values from SimaPro® in m3 are converted to kg.Soil 0.000127 kg Total Soil Emissions CO2 0.640 kg

Individual values of specific air pollutants

CO 0.000433 kgCH4 0.00423 kgNOX 0.000917 kgNMVOC 0.000320 kgParticulate 0.000120 kgSO2 0.000636 kg VOCs 1.72E-07 kg A contributor to the water emissions

CED 39.4 MJThe cumulative energy demand from nonrenewable and renewable energy

sources.

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Comparing ProcessesYou can select two or more processes to compare

1. Select one process as done before2. Find a second process to compare3. Hold the ctrl key on your keyboard while selecting

the second process4. Repeat for as many processes as you please5. Now select compare from the right click menu as

shown in the next slide Methanol at plant and Methanol from synthetic

gas at plant will be compared for this example

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Select compareThis gives you

many options that are useful for comparing multiple products or processes

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Making the Comparison

You will now see this screen (similar to the single process comparison)

Choose an assessment method the same way as before◦ It is preferential to select an eco-indicator method because these methods

provide the most options for comparisons (choose E if you’re unsure)

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This bar is negative because the synthetic gas manufacturing route uses CO2 as a raw material, so it actually helps to reverse climate change

ComparingIn the previous chart you saw percentages

on the y-axis◦The process with the highest impact in a

particular category is set as the 100% reference value

You can only view the impact assessments and the inventory as comparisons

The normalized impact assessment also allows you to view a triangle chart

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1. Click the “normalisation” tab2. Make sure the boxes are both

unchecked and “never” is selected in the “skip categories” box

3. Click the button

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This triangle shows the three long term environmental impacts from the eco-indicator assessment methods

Each side of the triangle is one impact on a scale of 0-100%

Each point in the triangle represents a weighting scheme◦ How much you decide to weight

the total environmental impact based on these three impacts e.g. 20% human health, 20% resources, and 60% ecosystem quality

The legend at the top explains what the colors mean

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Questions?

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SESSION 3Modeling a Process in SimaPro

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OverviewHow to create a process

◦Explained through a pharmaceutical exampleWhat you could do with this information

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PharmaceuticalsMany organic chemicals and solvents are

used in the production of APIs (Active Pharmaceutical Ingredients)

Not all of them are in SimaPro®

◦The solvent does not exist◦The entries in SimaPro® are manufactured using a

different method or energy sourceThese solvents need to be modeled

accurately before they can be used in an LCA

126

Aspirin◦The API in Aspirin is acetylsalicylic acid◦This is used as an NSAID pain reliever and

fever reducer◦Below are the chemicals used to produce 1 kg

◦Below are the wastes produced

Chemical/solvent SimaPro name Amount, kg

Acetic anhydride Acetic anhydride, at plant/RER U 8.51

Toluene Toluene, liquid, at plant/RER U 6.67

Salicylic acid Unavailable 7.68

Chemical/solvent Amount, kg

Acetic anhydride 2.83

Acetic acid 3.33

Kamlet, J. (1956). Process for the manufacture of acetylsalicylic acid. Patent No. 2731492. US.

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Utilities and emissionsThe energy requirement is unknown so

estimate by adding an organic chemicals plant.◦The plant is based on an average of two plants

with a total production of 50,000 tonnes annually and a lifetime of 50 years. 4.0E-10 p plants required to produce 1 kg of an

organic compound

p is a unit that means a piece or a part of something

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Creating a Project1. After you login to

SimaPro® you will see the projects window

2. Click the new button3. Give your project an

easily identifiable name (e.g. Rowan Pharma Tutorial/your initials) then click “OK”

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Creating a Project4. Ensure that all

of the libraries are marked as active in your project.

5. Now you can go to the processes window by clicking here and get started

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Creating a Process You can either model an existing process or create a new one by

clicking “new” to make one from scratch or “copy” to make a process based on an existing one

When creating a new process, name it accordingly◦ The name should be easily identified as the product or process you are

modeling Add all of the known inputs

◦ You can add processes from SimaPro® for substances and energy

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You can name the process by double clicking the Name box and typing the name i.e Aspirin

The next slides will demonstrate how to add inputs◦You can add compounds, chemical plants, and energy

required for your product or process◦You can also add known emissions from the

manufacturing process

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Let’s Make Aspirin!

1. Name the process by double clicking the “Name box” and typing “Aspirin”

2. Enter “1” in the “Amount box”◦ You can change the units and quantity by

double clicking their respective boxes and selecting an option from the drop down menu

◦ For this case we are modeling 1 kg, so the unit is “kg” and the quantity is “Mass”

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Adding Ingredients

1. To add a process first double click the appropriate input box

◦ Inputs from technosphere are the materials that you need for your process/product or fuels required

◦ You can also add known emissions if your manufacturing process generates emissions

◦ We will be adding inputs from the technosphere

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Which Ingredients to Use?Here you can navigate the categories

Here you can navigate the processes

Once you find yours double click its name

• We will use Acetic anhydride, at plant/RER because it is a general process for acetic anhydride production

• If you have more details about where the raw materials come from, you can view the details of each option and choose the one that matches you specifications best

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Deciding which process to use1. To view the details

of a process/product click “View”

2. The next slide shows the resulting screen

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After reading the process description you can see that this “process” is modeled after a generic production mix of acetic anhydride in Europe.

Without any details for our acetic anhydride, a generic production would be the best model for us to choose

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Adding the Other IngredientsAdd the other ingredients in the same

mannerYou can also add any energy requirements

and emissions in the same way◦What emissions and energy should we add

ourselves? Doesn’t SimaPro® calculate this for us?

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Energy and EmissionsSimaPro® is used to calculate the

emissions and energy, but you need to add some of these yourself as well

Raw materials gathering and manufacturing

Product manufacturing process

Raw materials used

Emissions Emissions, By-products, Waste

Energy Energy

Calculated by SimaProMeasured/calculated from process

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Energy and EmissionsThe emissions you enter into you product/process

outputs are only from the manufacturing process◦Example: If the manufacturing process generates 2 kg

of SO2 gas. You should add this to the emissions from your product/process

The energy you enter as an input is only the energy required to perform the manufacturing process◦Example: If your pumps require a total of 15 MJ of

energy during the production of 1 kg of your product. Include this in the inputs for your product/process

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Salicylic AcidNotice that salicylic acid is one of the

chemicals used in this processSalicylic acid does not exist in SimaPro® yetWe will make a new salicylic acid process

based on stoichiometric calculations and some simple assumptions◦This is a rough estimate◦ Patents and literature searches are better sources

of information

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Salicylic Acid

This is known as the Kolbe–Schmitt reactionFor our purposes, we will assume the following:

◦Each step has a 95% yield◦All unused products and reactants are used

somewhere else in the plant◦Use a general organic chemical plant for energy

Phenol(ph)

A Sodium Phenolate(Sph)

Salicylic Acid(Sa)

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Stoichiometric Calculations

4.0E-10 p Chemical Plant to account for energy and utilities

Sa kmol 0.00724=Sa kg 138.12

Sa kmol 1 Sa kg 1

Sph kmol 0.00762=prod. kmol 0.95

react. kmol 1 Sa kmol 1

Sph kmol 1 Sa kmol 0.00724

22

22 CO kg 0.353=CO kmol 1

CO kg 40.01 Sph kmol 1CO kmol 1 Sph kmol 0.00762

NaOH kg 0.321=NaOH kmol 1

NaOH kg 40 Sph kmol 1

NaOH kmol 1 Sph kmol 0.00762

ph kg 0.755=ph kmol 1ph kg 94.11

prod. kmol 0.95react. kmol 1

Sph kmol 1ph kmol 1 Sph kmol 0.00762

4242

4242 SOH kg 0.747=SOH kmol 1

SOH kg 98.079 Sph kmol 1

SOH kmol 1 Sph kmol 0.00762

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Adding InputsCreate a new process and name it “Salicylic acid”

◦ Make the process a 1 kg basisAdd the inputs in the same manner as previously

shownSome of the units may not be the same as your dataRemember that by “double clicking” the units you

can select a new one from the drop down menu

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Inputs

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Notes for Creating ProcessesBe sure to get information from credible

sourcesMake as few assumptions as possible

◦Do research to make good assumptions. E.g. what type of electricity is likely to be used or

plant specificationsState your assumptions for future

reference by you or others

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Completing the inputs for AspirinNow that the salicylic acid process has

been created, add the remaining inputs summarized below

Chemical/solvent/plant SimaPro name Amount, kg

Process InputsAcetic anhydride Acetic anhydride, at plant/RER U 8.51


Salicylic acid Salicylic acid 7.68

Chemical Plant Chemical plant, organics/RER/I S 4.0E-10

Useful By-products

Acetic anhydride Acetic anhydride, at plant/RER U 2.83

Acetic acid Acetic acid, 98% in H2O, at plant/RER S

3.33

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Useful By-Products?You may have noticed the Allocation input in

the processes you have viewed and createdSome processes have multiple products.

◦Desalination produces purified water and saltThis needs to be considered when modeling

such a process. You can do one of two things:◦Avoid allocation◦Divide impacts over the products

Use the same method for the entire project

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Avoid AllocationYou can avoid allocation by expanding the system

boundaries◦ Generate an inventory for the other products that are produced

The inventory should be for a process where your by-product is the desired product

◦ Subtract those inventories from the overall inventory of the process being modeled

Purified water

Purified water

Sea water

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AllocationDetermine the percent of the raw material

allocated to each product by one of two methods◦ The physical quantities produced

For the sea water use mass fractions◦ The socio-economic percentages of each product

For the sea water use the revenue generated from the given mass of each product, or the market share of each product

Sea water example

Product Mass Allocation

Income Allocation*

Water %96.5 %87.1

Salt %3.5 %12.9

* Based on market prices for sea salt and bottled water in a supermarket

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Our caseFor our case, we will avoid allocation for

the acetic acid and acetic anhydrideThis is used based on the assumption that

the two by-products will be sent somewhere else in the plant to be used by or sent to another plant so no waste treatment has to be considered and we can credit these to our process

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Here is where you add the useful by-products

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Outputs - Impact Assessment

These are negative because they are credited to our process

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Outputs - Impact Assessment Table

154

Let’s RecycleThe acetic anhydride can be recycledThe acetic acid can react with ketene to

form acetic anhydrideAfter recycling, the mixture needs to be

charged with more salicylic acidThe output of acetylsalicylic acid is

greatly increased


155

KeteneKetene is not available in the databaseFor our reaction there is a special case

ketene + acetic acid -> acetic anhydrideThere is an acetic anhydride “process” we can modify

◦ Acetic anhydride from ketene, at plant/RER UFind this “process” then copy it

◦ Click “Copy”

H2C=C=O

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We can use this process, but we have to make one change

We already have acetic acid so we can just remove that from the inputs in this “process”

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1. Select Acetic acid from the inputs

2. Right Click3. Select Delete Line4. Rename the “Process”

◦Acetic anhydride from aspirin recycle

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Aspirin Process with Recycle InputsThe inputs for this process are different than last

timeThe aspirin yield compared to the previous process

is nearly 10 times as muchCreate a new process and name it “Aspirin with

recycle”Chemical/solvent/plant SimaPro name Amount, kg

Process InputsAcetic anhydride Acetic anhydride, at plant/RER U 0.861


Salicylic acid Salicylic acid 1.552

Chemical Plant Chemical plant, organics/RER/I S 4.0E-10

Acetic anhydride Acetic anhydride from aspirin recycle

0.574


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Outputs - Impact Assessment

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Outputs - Impact Assessment Table

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Impact Assessment Comparison

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Impact Assessment Table Comparison

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Inventory comparison Without Recovery With Recovery

Amount Saved Through Recovery

Percent Reduction

Raw Materials Used, kg 4.71E+01 9.43E+00 3.76E+01 80%

Water Used, kg 1.11E+05 2.58E+04 8.53E+04 77%

Total Emissions, kg 4.97E+01 1.03E+01 3.94E+01 79%

Total Air Emissions, kg 2.35E+00 5.58E-01 1.79E+00 76%

Total Water Emissions kg 1.36E-02 3.77E-03 9.87E-03 72%

Total Soil Emissions kg 4.89E+01 1.01E+01 3.88E+01 79%

CO2, kg 8.03E-02 1.85E-02 6.17E-02 77%

CO, kg 2.62E-01 4.86E-02 2.13E-01 81%

CH4, kg 8.34E-02 1.70E-02 6.65E-02 80%

NOX, kg 1.20E-01 2.66E-02 9.33E-02 78%

NMVOC, kg 3.18E-02 6.98E-03 2.48E-02 78%

Particulate, kg 1.82E-01 3.77E-02 1.45E-01 79%

SO2, kg 4.76E-05 1.37E-05 3.39E-05 71%

VOCs, kg 1.59E+03 3.03E+02 1.28E+03 81%

CED, MJ 4.71E+01 9.43E+00 3.76E+01 80%

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Remarks The solvent recovery resulted in a

considerable decrease in all emissionsIf you have accurate data you can model a

process in SimaPro and also model variations based on your own calculations of solvent recovery or energy usage

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Any Last Questions?

life cycle analysis with application to consumer products and pharmaceuticals

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