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Sustainable Product-ProcessEngineering, Evaluation & Design
Sustainable Product-Process Engineering, Evaluation & Design(http://www.pseforspeed.com/)
1
Company Presentation
Rafiqul Gani, Surat Areerat, Yodsathorn Chavewanmas (& Anjan K Tula)
PSE for SPEED, Company Presentation, Version-1
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Who are we?
PSE for SPEED, Company Presentation, Version-1 2
• Established: March 2017 with head quarter in Bangkok
• Owners: Prof Rafiqul Gani; Dr. Surat Areerat; Dr. Sawitree Kalakul, Dr. Amata Anantpinijwatna; Dr. Anjan K Tula; & Prof Mario R Eden
• Expertise: more than 50 years of combined experience in development, implementation and application of state of the art systematic computer aided tools to solve problems
• Services on offer:• Solving problems (improved retrofit process design, process analysis,
identify opportunities for improvements; better problem understanding of product-process, ..…);
• Education & training (problem solving ,software training, …); • Projects (consulting, feasibility studies, what-if analysis, …); • Customized solutions (retrofit, special software, …);• Increase product-process portfolio
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Our experience
PSE for SPEED, Company Presentation, Version-1 3
Note: The company is new and really starting from 1st January 2018; however, the personnel has a lot of experience!
• Chemical substitution & solvent screeing: many industrial problems solved (see several joint publications with industry – GSK, AstraZeneca, SCG, Syngenta, AkzoNobel, Mitsubishi Chem Corp, Alfa Laval, ..... (BASF, Bayer, DSM, Total, )*
• Property modelling (predictive methods ) – Alfa Laval, Syngenta, .... Principal collaborators are from academia (USA, Brazil, Korea, Mexico, Malaysia, Thailand, ....)
• Process synthesis & design* – Ala Laval, Union Carbide (before 1997), Firminech, FMC; Mitsubishi Chem Corp, SCG, ......
• Chemical product synthesis & design* – Syngenta, Astrazeneca, Bayer, Akzonobel, Unilever
• Integrated computer aided systems (ICAS) – Many industral users*
* Vast network of collaborators from academia
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Our experience – working with industry
PSE for SPEED, Company Presentation, Version-1 4
Sustainable Product-ProcessEngineering, Evaluation & Design
Sustainable Product-Process Engineering, Evaluation & Design(http://www.pseforspeed.com/)
PSE for SPEED, Company Presentation, Version-1 5
PSE (Process Systems Engineering): Use of a systematic
approach to problem solving!
CAPE (Computer Aided Process Engineering): Use of
computer aided and systematic approaches to solve process
engineering problems!
Scope & Significance of PSE/CAPE is potentially very large
and depends on the application range of the developed
solution approaches.
Takamatsu (1982), Sargent, …. (PSE meeting, 1982)
Sustainable Product-ProcessEngineering, Evaluation & Design
Sustainable Product-Process Engineering, Evaluation & Design(http://www.pseforspeed.com/)
PSE for SPEED, Company Presentation, Version-1 6
PSE-CAPE: Use of computer aided and systematic
approach to solving process engineering problems!
Sustainability: The ability to ”sustain”, or, the capacity
to ”endure”
Sustainable Development: “development that meets the needs
and aspirations of the present without compromising the
ability of future generations to meet their own needs”
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Core products of PSE
PSE for SPEED, Company Presentation, Version-1 7
Numerical analysis => Simulation
Mathematical Programming => Optimization
Systems and Control Theory => Process Control
Computer Science => Advanced Info./Computing
Management Science => Operations/Business
Are they enough to solve our problems?
=> Behavior of process-product
=> Synthesis/design
=> Manufacture
=> Efficient
problem solving
=> Supply chain
Sustainable Product-ProcessEngineering, Evaluation & Design
Our status on planet earth: we are the master!
Fertilizers
Vitamins
Colorants and
coatings
Plastics
Fuel
Electronics
Pharmaceuticals
Detergents
Nutrition
Healthcare
Mobility
Communications,
Entertainment
Clothing Housing
. . . . . . . .
But, how did we get there and is our dominance or survival threatened?PSE for SPEED, Company Presentation, Version-1 8
Sustainable Product-ProcessEngineering, Evaluation & Design
Is our future sustainable? The challenge facing us
Only 25% converted to useful products; the rest are waste (we must be to get > 40% useful products) Driolli 2007
We convert resources to products we
need
Use energy,
water, ….
Cause negative
environmental Impacts
Produce
waste
PSE for SPEED, Company Presentation, Version-1 9
Sustainable Product-ProcessEngineering, Evaluation & Design
The choices we need to make
PSE for SPEED, Company Presentation, Version-1 10
1. What is the role of manufacturing and product companies – that is,
“commodity” industry vs. “new emerging” technologies?
2. What is the future scope for fundamental contributions?
Value preservation vs.
Value creation
Engineering vs. Science
3. What are the major real world challenges
Globalization, energy, environment, health
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: A new company
PSE for SPEED, Company Presentation, Version-1 11
MissionApply systematic computer aided methods and tools to provide sustainable solutions for a wide range of problems of industrial relevance and research significance, reliably, efficiently and very rapidly
Vision• Novel, innovative, & sustainable solutions can be found for well-
known as well as new chemical processes-products through the appropriate use of models, methods, tools and experience.
• To reach defined goals, corresponding targets that will lead to more sustainable alternatives, must be achieved.
• A “win-win” solution for all parties concerned.
Sustainable Product-ProcessEngineering, Evaluation & Design
Problem solution versus managing the complexity
Problems
Problem defined by
• System boundary
• Models (of different types, sources, ....)
• Data (from different sources, )
• Multi-objectives & multi-disciplines
• ........
PSE4SPEED = systematic solution of problems by
efficient management of the complexity
Design
Synthesize
Operate
Plan
PSE for SPEED, Company Presentation, Version-1 12
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Services we offer
PSE for SPEED, Company Presentation, Version-1 13
• Solving problems (improved retrofit process design, process analysis, identify opportunities for improvements; better problem understanding of product-process, ..…);
• Education & training (problem solving ,software training, …); • Projects (consulting, feasibility studies, what-if analysis…); • Customized solutions (retrofit, special software, …);• Increase product-process portfolio• Software license (as part of membership fee)
Active Personnel: Yodsathorn Chavewanmas, Anjan K Tula, Rafiqul Gani
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Property prediction
PSE for SPEED, Company Presentation, Version-1 14
• Pure component (single value properties: Tb, Tc, Pc, ,
LC50, Tm, , .........) - 29 properties; GC+ models (+ 20)
• Pure component (temperature dependent: pS, , Hvap,
, , .......) - 10 properties; PC-SAFT; correlations
• Mixture properties (bulk properties: , H, , ....) –ideal mixing; PC-SAFT; special models
• Mixture properties (phase equilibria: & ) - UNIFAC-
CI; NRTL-sac; PC-SAFT; special models (UNISAC)
• Solvent-process performance related properties
(solvent power, solvent loss, ....) – models listed above
Note: Property models need to be predictive and
qualitatively correct during generation & test
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Solvent design-screening
PSE for SPEED, Company Presentation, Version-1 15
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Modelling is an enabling technology
PSE for SPEED, Company Presentation, Version-1 16
Computer-aided modeling is an important enabler to face current and
future challenges product-process engineering.
Prediction and optimization of product process behavior
Reduce number of resource-demanding experiments
Deliver truly innovative solutions
Improved understanding of the domain system
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Model creation and testing
PSE for SPEED, Company Presentation, Version-1 17
•Modelling of bioreaction kinetics & bioreactors•Systematic computer-aided modelling method &
associated tools (MoT, MoTemp, ModGen)•Generic model development, validation &
application (crystallization)•Modelling of biochemical processes (ethanol;
succinic acid; diesel; ... ... ) •Modelling of reacting systems (unsaturated fatty
acids with H2O2) •Modelling of water/wastewater treatment
networks
CSTR
V
F0
F
D
FR
L
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Energy efficient separation
PSE for SPEED, Company Presentation, Version-1 18
Distillation
Ya = 0.90
Xa = 0.005
Xb=0.999
Membrane
Ya = 0.999
Yb = 0.001
Xa = 0.001
Xb=0.999
Feed
Efficient operating region for
Distillation Efficient operating region for
Membrane
Col-1Col-2
Col-3
Col-4
A- Propane
D- Ipentane-
85%
C- NButane
B- Ibutane-85%
Ibutane
> 99.5
Membrane
Membrane
Ya = 0.995
Yb = 0.005
Xa = 0.005
Xb=0.995
E-NPentane
Energy reduction: 44.4% in
Col-3 and 37.6% in Col-4
Tula et al., CACE, 2017
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Innovative design - I
PSE for SPEED, Company Presentation, Version-1 19
Methyl acetate production
(Eastman Chemicals, 1982)
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Innovative design - II
PSE for SPEED, Company Presentation, Version-1 20
H2OMeOAc
HOAc
MeOH
Pervaporation
membrane
HOAc
MeOH
H2OMeOAc
HOAc
MeOH
Babi et al., CACE, 2015
Sustainable Product-ProcessEngineering, Evaluation & Design
Can the current methods, tools technologies deliver?
Can our current methods and tools solve the
problems of our interest? Do we need a new
class of software tools that promote innovation?
Well-known PSE tools: ASPEN, gPROMS, HYSIS, PROII, ChemCad, ….(design, optimization, control, plan-schedule operations, …)
PSE for SPEED, Company Presentation, Version-1 21
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Systematic model-based approach
PSE for SPEED, Company Presentation, Version-1 22
Model
Information
(knowledge,
data)
Analysis
Planning
Production
Design
Environment
Operation
Process/Product
Business
Simulation
System
Problem
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: R&D concept
PSE for SPEED, Company Presentation, Version-1 23
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Our expertise
PSE for SPEED, Company Presentation, Version-1 24
Synthesis-design of energy efficient processes; Batch process synthesis-design; Computer aided flowsheet design
Properties modelling; Process modelling; Development of customized models; Computer aided modelling tools
Chemical product synthesis-design (single molecule, blends, formulations, devices); Product evaluation; Computer aided chemical product design
Integration product-process; Process-control; Process intensification-synthesis; Integrated computer aided model-based ... systems for sustainable development
Sustainable Product-ProcessEngineering, Evaluation & Design
Integrated multidisciplinary approach
ExperimentsREALITY
Simulations
VIRTUALREALITY
Provide realisticmodel parameters
Verify theoreticalsolutions
System
under
study
Optimized
design?
Model
system
Optimized
design?
Guidance and insights for experiments
• Solution approaches
Integrated modeling, experiments andsynthesis
Ability to findpredictive- innovativesolutions
PSE for SPEED, Company Presentation, Version-1 25
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Our Tools
PSE for SPEED, Company Presentation, Version-1 26
• ICAS dedicated to manage the complexity through a systems approach
• ICAS algorithms based on a systematic solution approach
• ICAS allows single- and multi-dimensional problems to be solved efficiently, reliably, consistently and robustly
• ICAS improves productivity by allowing sharing of common knowledge between different groups of people
ProCAPD & ProCAFD (ICAS): combines computer-aided tools for modelling, simulation,
property prediction, synthesis/design, control and analysis into a single integrated system
Our Tools: ProCAPE
Computer-aided property estimation tool (database, pure component property models, mixture property models & phase equilibrium based property calculation modules)
Property models
Solu
tio
n m
eth
od
s an
d s
olv
ers
Pro
du
ct fun
ction
calculatio
n ro
utin
es
Databases
Organic chemicals, lipids, ionic liquids, aroma, amino acids, solvents, …
GC-based models, EOS based models, GE-models, PC-SAFT, ….
Pro
Pre
d, P
roC
AM
D, O
ptC
AM
D, S
olv
en
tPro
, Mo
T, …
.. • The first and only computer aided tool available for users in industry as well as academia
• Useful for chemical substitution problems
• Useful in retrofit design-analysis
• Most used tools are Property-Prediction (ProPred) and computer aided molecular design (ProCAMD and SolventPro) – already used by many companies
Gani & coworkers, 1984, .....2018
Our Tools: ProCAPD
Single species design
Formulation design
Fun
ctio
nal
pro
du
ct d
esi
gn
De
vice d
esign
Evapo
ration
rate, p
hase
stability, frictio
n facto
r, ….
PSE for SPEED, Company Presentation, Version-1 29
ProCAFD
User Interface
SFILES-Data
Data-Identifier
Database Library
Compound database
Solvents database
Simulation tools
Aspen Plus
Pro II
ICAS SimReaction database
Energy Index
Carbon Foot print
Flowsheet Property models
Product Recovery
Process Safety
Environmental
Impact
Visulization
(Results &
Plots)
Groups
DataInput data
Method data
Azeopro
(Azeotropic mixtures)
Propred
(Property prediction)
Inhouse tools
ECON, SustainPro,Lcsoft
(Process Analysis)
Process-groups
database
SFLIES generator
(Flowsheet line notation)
Alternatives generator
(flowsheets generattor)
Methods
Separation synthesis
Process
intensification
CAMD
Stream Summary
Property Results
Data
Tool output
Hybrid separations
Simultaneous
Optimization &HEN
Method solutions
Library of databases
Models for flowsheet properties
Methods for process synthesis, design, &
intensification
Tools for process simulation
Utility & analysis tools (property
prediction; economic, sustainability & LCA analysis; flowsheet
generator: …)
ProCAFD (Computer Aided Flowsheet Design): Integrated software tool for process synthesis, design, analysis
Our Tools: ProCAFD
Tula et al., CACE, 2015 & 2017
30
Stage-0: Define the problem
Stage-2: Design-analysis stage (tasks 4-8)
Task-3: Fo
rmu
late & so
lve th
e flo
wsh
eet syn
the
sis pro
blem
Task-2: Collect information on process operationsTask
-1: C
olle
ct in
form
atio
n o
n p
rod
uct
, re
acti
on
, etc
Stage-1: Synthesis stage (tasks 1-3)Ta
sks
4-7
: P
erf
orm
mas
s &
en
erg
y b
alan
ce
Task-8: Perform sizing, costing & economic analysis
Task-9: P
erfo
rm su
stainab
ility analysis &
ide
ntify
pro
cess h
ot-sp
ots an
d d
efin
e d
esign
targets for stage
3
Stage-3: Design-analysis stage (tasks 10-12)
Task
-10
: P
erf
orm
he
at &
mas
s in
tegr
atio
n t
o m
atch
de
sign
tar
gets
Task-11: Perform process optimization to match design targets
Task-12
: Ide
ntify o
pp
ortu
nities fo
r furth
er im
pro
vem
ent
thro
ugh
pro
cess in
tensificatio
n
At the inner core, we have the user-interface of ProCAFD.The three stages consisting of 12 tasks are performed, as illustrated in the figure. First define the problem; then solve the synthesis problem in stage-1; then perform design-analysis after process simulation in stage-2; finally, in the outer layer, apply process intensification, etc., to generate alternative more sustainable process designs.
Sustainable Product-ProcessEngineering, Evaluation & Design
PSE for SPEED: Software demonstration
PSE for SPEED, Company Presentation, Version-1 31
• Part-I (ProCAPE: computer aided property estimation)• Database • Pure component property prediction• Phase diagrams, mixture properties, etc.
• Part-II (ProCAFD: computer aided flowsheet synthesis & design)• Cumene production synthesis& design• PTA process synthesis
• Part-III (ProCAPD: computer aided chemical products)• Liquid formulation products, blends, molecules, chemical substitution