Company Presentation Rafiqul Gani, Surat Areerat, Yodsathorn - - PowerPoint PPT Presentation

Sustainable Product-Process Engineering, 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-Process Engineering, 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-Process Engineering, 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-Process Engineering, Evaluation & Design

PSE for SPEED: Our experience – working with in industry

PSE for SPEED, Company Presentation, Version-1 4

Sustainable Product-Process Engineering, 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-Process Engineering, 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-Process Engineering, Evaluation & Design

PSE for SPEED: : Core products of f 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-Process Engineering, 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-Process Engineering, 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-Process Engineering, 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-Process Engineering, Evaluation & Design

PSE for SPEED: : A new company

PSE for SPEED, Company Presentation, Version-1 11

Mission Apply 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-Process Engineering, 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-Process Engineering, 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-Process Engineering, 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-Process Engineering, Evaluation & Design

PSE for SPEED: : Solvent design-screening

PSE for SPEED, Company Presentation, Version-1 15

Sustainable Product-Process Engineering, Evaluation & Design

PSE for SPEED: : Modelling is 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-Process Engineering, 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-Process Engineering, 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-1 Col-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-Process Engineering, Evaluation & Design

PSE for SPEED: : In Innovative design - I

PSE for SPEED, Company Presentation, Version-1 19

Methyl acetate production (Eastman Chemicals, 1982)

Sustainable Product-Process Engineering, Evaluation & Design

PSE for SPEED: : In Innovative design - II II

PSE for SPEED, Company Presentation, Version-1 20

H2O MeOAc HOAc MeOH Pervaporation membrane

HOAc MeOH H2O MeOAc HOAc MeOH

Babi et al., CACE, 2015

Sustainable Product-Process Engineering, Evaluation & Design

Can the curr rrent 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-Process Engineering, 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-Process Engineering, Evaluation & Design

PSE for SPEED: : R&D concept

PSE for SPEED, Company Presentation, Version-1 23

Sustainable Product-Process Engineering, 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-Process Engineering, Evaluation & Design

In Integrated multidisciplinary ry approach

Experiments

REALITY

Simulations

VIRTUAL REALITY

Provide realistic model parameters Verify theoretical solutions

System under study Optimized design? Model system Optimized design?

Guidance and insights for experiments

• Solution approaches

̶ Integrated modeling, experiments and synthesis ̶ Ability to find predictive- innovative solutions

PSE for SPEED, Company Presentation, Version-1 25

Sustainable Product-Process Engineering, 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 Solution methods and solvers Product function calculation routines Databases Organic chemicals, lipids, ionic liquids, aroma, amino acids, solvents, … GC-based models, EOS based models, GE-models, PC-SAFT, …. ProPred, ProCAMD, OptCAMD, SolventPro, MoT, …..

• 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 Functional product design Device design Evaporation rate, phase stability, friction factor, ….

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 Sim Reaction database Energy Index Carbon Foot print

Flowsheet Property models

Product Recovery Process Safety Environmental Impact Visulization (Results & Plots)

Groups Data Input 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: Formulate & solve the flowsheet synthesis problem Task-2: Collect information on process operations Task-1: Collect information on product, reaction, etc Stage-1: Synthesis stage (tasks 1-3) Tasks 4-7: Perform mass & energy balance Task-8: Perform sizing, costing & economic analysis Task-9: Perform sustainability analysis & identify process hot-spots and define design targets for stage 3 Stage-3: Design-analysis stage (tasks 10-12) Task-10: Perform heat & mass integration to match design targets Task-11: Perform process optimization to match design targets Task-12: Identify opportunities for further improvement through process intensification 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-Process Engineering, 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