separations design & operation: can modelling software help?
TRANSCRIPT
© 2018 ProSim S.A. All rights reserved.
Separations design & operation:
can modelling software help?
Stéphane Déchelotte
Bioprocessing Separations Technology to Move
Renewable Chemicals and Biofuels to Market
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Process Modeling, Simulation and OptimizationThermodynamic properties and fluid phase equilibria calculations
Flowsheeting (mass and energy balances of full processes)
Equipment sizing and design
Kinetic parameters fitting
Energy integration (pinch technology)
etc
PSE: Process System Engineering
ProSim overview: What we do
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
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Where we are
Toulouse(France)Philadelphia
(PA)
Over 1000 clients in 73 countries
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
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Fine and Specialty Chemicals
Gas Cryogenics & Gas Liquefaction
Gas compression
Gas processing
Bio-based products Bio-based Chemicals
Ethanol & Biofuels
Energy efficiency
Waste treatment and recycling Gas emissions treatment
Liquid effluents treatment & Solvent regeneration
Ammonia & Nitric acid
Nuclear Heavy-water- H2 isotopes
What is our market
Particularly relevant software
Important expertise
Good references
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
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Some of our clients in the bioindustry…
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Stéphane Déchelotte
Operating companies as well as E&C (Engineering & Construction) firms or equipment manufacturers
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ServicesProcess studies through modeling and simulation
What we offer
SoftwareChemical Engineering Software Editor
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Stéphane Déchelotte
Provision of conceptual design studies, design of process diagram
Bibliography and research of missing data (physical properties…)
Adjustment of thermodynamic and kinetic models
Equipment sizing and costing
Operating conditions optimization, sensitivity analysis
Process intensification, etc…
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Software for process design and optimization
Allowing to
Improve process design
• Reduce costs (CAPEX and OPEX)
• Increase plant efficiency
• Manage operation risks
• Lower environmental impact
Get better understanding of the
physical, chemical or biological
phenomena involved
Reduce time-to-market
• Improve scale-up from lab to pilot
and industrial plants
• Rapidly explore and evaluate
different production routes
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
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What is important in such software
But is it not enough when willing to improve
bioprocessing separations technology to move
renewable chemicals and biofuels to market
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
Such simulation software must be
Easy to use
Robust
Accurate
Fast
Well documented
Plot nice graphics
Open
etc…
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Simulation software can help if:
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
They allow accurate thermodynamic modeling of
raw materials, products and by-products
Appropriate models for separation equipment are
available
Optimization and energy efficiency improvement
capabilities are included
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Simulation software can help if:
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
They allow accurate thermodynamic modeling of
raw materials, products and by-products
Appropriate models for separation equipment are
available
Optimization and energy efficiency improvement
capabilities are included
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Phase a
Phase b
x1a, x2
a, …, xna
x1b, x2
b, …, xnb
Thermodynamics equilibrium constant:
𝐊𝐢 𝐓, 𝐏, 𝐱𝛂, 𝐱𝛃 =
𝐱𝐢𝛂
𝐱𝐢𝛃P
T
Densities
Viscosities
Thermal conductivities
Specific heats
Vaporization enthalpy
Mixing enthalpies
…
Which properties are needed
Thermophysical properties:
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
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Err
or
% o
n the n
um
ber
of th
eore
tical sta
ges r
equired
Error % on the relative volatility (a)
30
25
20
15
10
5
05 10 15 20
a = 1.05
a = 1.2
a = 2
a = 4
a = 10
Influence of volatility on the
design of a distillation column
?A+B
A
B
Relative volatility:
𝛂𝐀𝐁 =𝑲𝑨
𝑲𝑩=𝒚𝑨/𝒙𝑨𝒚𝑩/𝒙𝑩
What if "poor" properties are used
A 1% error on relative volatility can lead to a 30% error on number of stages of the column
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
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Need for accurate pure-compounds
physical properties
"Usual" compoundswater, glucose, oxygen…
"Derivative" or "polymer" compounds (starch, dextrin, lignin,
maltotriose, gluconic acid…)
"Biological" compounds (biomass, dry matter…)
Database of rigorously evaluated
pure component properties
>2200 industrially important
chemical compounds
International "gold" standard
At least 50 constant
properties (MW, Tc, Pc…)
18 temperature dependent
properties (Cp, Pi°, l,
DHvap…)
If lab measurements are available:
Need of good data regression algorithms
If lab measurements are not available:
Need of good data estimation methods
Specific issues in the bioindustry:
great complexity of the raw material (many compounds, sometimes difficult to characterize…)
lack of properties for many compounds
Automatic decomposition in groups from SMILES*
Automatic generation of properties from
appropriate group contribution methods
Prediction of intrinsic & temperature dependent
properties* SMILES: Simplified Molecular-Input Line-Entry System
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And also accurate calculation models for
mixture properties
Equations of State
SRK, PR ,PPR78, LKP, BWRS, Nakamura, NRTL-PR, GC-PPC-SAFT…
Activity coefficients models
NRTL, UNIQUAC, Wilson, UNIFACs (Larsen, Dortmund…)…
Combined approach models
MHV2, MHV1, VTPR, PSRK…
Specific systems
Pure water (NBS/NRC steam tables - IAPS,1984), Sour-Water, carboxylic acids, formaldehyde…
Electrolytes
Edwards, UNIQUAC electrolytes, Amines, ULPDHS …
Polar compounds, electrolytes, mixed solvents, solids…
a diversity of models is required
system openness to easily introduce new models when needed
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
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Simulation software can help if:
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
They allow accurate thermodynamic modeling of
raw materials, products and by-products
Appropriate models for separation equipment are
available
Optimization and energy efficiency improvement
capabilities are included
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Required models for separations
Used for more than 5,000 years
Source: A. Gorak, Distillation, Fundamentals and Principles, Elsevier (2014)
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
One of the most common separation technologies
Many separation techniques may be useful:
adsorption, membranes…
Distillation is one of them
Responsible for up to 50% of capital & operating costs in
industrial processes
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Batch vs Continuous
Continuous distillation:
An old process (Jean-Baptiste Cellier-Blumenthal: first continuous
distillation column, France, 1813)
Widely used in industry
Several good simulation software available on the market
ProSimPlus™ is one of them:
three-phase (LLV) and reactive distillation
"Rate-Based" approach
Unique DWC shortcut method
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
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Divided Wall Columns (DWC)
An interesting innovation to improve the energy
efficiency of separations by distillation
Can be simulated by splitting the DWC into several
interconnected "sub-columns"
But this requires an
appropriate shortcut
method (to properly initialize
the intermediate streams and
get the parameters for each of
the "sub-columns": number of
theoretical stages…)
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
~5%
savings
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Batch vs Continuous
Much less simulation software available on the market
ProSim's BatchColumn™ software is one of them
Batch distillation:
Still used extensively: lab, fine & specialty chemicals,
biochemical products, solvents recovery…
Several advantages: A single column to separate any number of components
A single column even if demand is varying
Can be used when amounts are too small for continuous operation
Can accept solids in the load (removal at the end of the batch)
Product traceability for strict quality control requirements
(pharmaceuticals, foodstuff)
Flexibility & ability to cope with different separation duties (varying
feed mixture, feed compositions, product specifications)
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
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Simulation software can help if:
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
They allow accurate thermodynamic modeling of
raw materials, products and by-products
Appropriate models for separation equipment are
available
Optimization and energy efficiency improvement
capabilities are included
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www.prosim.net
A key point to move renewable chemicals
and biofuels to market
Specific equipment models are needed to
improve process energy efficiency (heat
pumps, ORC, boilers, fuel and gas turbines…) or to
create valuable effluents (gasification…)
Built-in "pinch technology" features allowing
better heat recovery must be included
Exergy analysis is also helpful to detect
irreversibilites and energy losses
An economic analyzer of potential solutions
(CAPEX and OPEX) is very useful
Energy efficiency improvement
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
T
Q
Pinch
QC min
QH min
~20%
savings
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Application Example
Biofuels production
plant (from rapeseed)
Input T (°C) Output T (°C) Input T (°C) Output T (°C)
57.2 120.0 130.0 67.2 1 065.6
30.0 83.0 96.0 67.0 848.0
54.0 78.0 88.0 83.6 170.7
78.0 82.0 120.0 88.0 128.0
EXCHANGER CHARACTERISTICS
Cold Stream Hot StreamHeat duty (Mcal/h)
Use of ProSim's Simulis Pinch software
New design proposed 4 heat exchangers
Total heat recovered 2210 Mcal/h (82 % of
Maximm Energy Recovery)
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Stéphane Déchelotte
40% reduction in steam consumption
50,000 t of CO2 per year avoided
Return on investment < 1 year
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Concluding remarks
Yes, modelling software is a
key enabling technology in
downstream processing to
faster move renewable
chemicals and biofuels to
market
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte
and
Expertise remains useful…
Technologies are mature, tools are available
Both modeling approach and experimental approach (lab,
pilot…) should be often used in parallel
Gains obtained may be substantial
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ProSim SAImmeuble Stratège A51, rue AmpèreF-31670 LabègeFranceTél. : +33 (0) 5 62 88 24 30
ProSim, Inc.325 Chestnut Street
Suite 800Philadelphia, PA 19106
U.S.A.Phone: +1 215 600 3760
Thank you for your attention!
BIO World Congress – July 16-19, 2018 – Philadelphia, PA
Stéphane Déchelotte