The objective of ESCAPE-12 is to highlight advances made in the development and use of computing methodologies and information technology in the area of Computer Aided Process Engineering and Process Systems Engineering.
The Symposium addressed six themes: (1) Integrated Product&Process Design, (2) Process Synthesis & Plant Design, (3) Process Dynamics & Control, (4) Manufacturing & Process Operations, (5) Computational Technologies, (6) Sustainable CAPE Education and Careers for Chemical Engineers. These themes cover the traditional core activities of CAPE, and also some wider conceptual perspectives, such as the increasing interplay between product and process design arising from the often complex internal structures of modern products, the integration of production chains creating the network structure of the process industry and optimization over life span dimensions, taking sustainability as the ultimate driver.
This book contains 182 papers presented at the 12th Symposium of Computer Aided Process Engineering (ESCAPE-12), held in The Hague, The Netherlands, May 26-29, 2002. The objective of ESCAPE-12 is to highlight advances made in the development and use of computing methodologies and information technology in the area of Computer Aided Process Engineering and Process Systems Engineering. The Symposium addressed six themes: (1) Integrated Product&Process Design; (2) Process Synthesis & Plant Design; (3) Process Dynamics & Control; (4) Manufacturing & Process Operations; (5) Computational Technologies; (6) Sustainable CAPE Education and Careers for Chemical Engineers. These themes cover the traditional core activities of CAPE, and also some wider conceptual perspectives, such as the increasing interplay between product and process design arising from the often complex internal structures of modern products; the integration of production chains creating the network structure of the process industry and optimization over life span dimensions, taking sustainability as the ultimate driver.
Front Cover 1
European Symposium on Computer Aided Process Engineering-12 4
Copyright Page 5
Contents 8
Preface 6
Part 1: Keynote Papers 18
Chapter 1. Sustainable CAPE-education and careers for chemical engineers 18
Chapter 2. Process Synthesis and Design in Industrial Practice 26
Chapter 3. Process Software in the Chemical Industry- the Challenge of Complexity 40
Chapter 4. Designing Industrial Processes for On-Aim Product Quality Control 48
Chapter 5. Adaptivity in Process Systems Modeling 59
Chapter 6. Plantwide control: towards a systematic procedure 74
Chapter 7. Decision Confidence – Handling Uncertainty through the Plant Life Cycle using Statistics and Datamining 87
Part 2: Contributed Papers 96
Integrated product and process design 96
Chapter 8. Property Integration - A New Approach for Simultaneous Solution of Process and Molecular Design Problems 96
Chapter 9. Mass Balance and Capacity Optimisation in the Conceptual Design of Processes for Structured Products 102
Chapter 10. Enzyme conformational predictions by molecular modeling 108
Chapter 11. ASTRO-FOLD. Ab-initio Secondary and Tertiary Structure Prediction in Protein Folding 114
Chapter 12. Incorporation of Sustainability Demands into the Conceptual Process Design Phase of Chemical Plants 120
Chapter 13. Multi-scale modeling strategy for separation of alkane mixtures using zeolites 126
Chapter 14. Simultaneous synthesis and design of novel chemicals and chemical process flowsheets 132
Chapter 15. Intensification of a solvent recovery technology through the use of hybrid equipment 138
Chapter 16. A global optimization technique for Solid-Liquid Equilibrium calculations: application to calcium phosphate precipitation 144
Chapter 17. Multivariate analysis for product design and control 150
Chapter 18. A Modeling Formalism for Multiproduct and Multiplant Batch Processes 156
Process Synthesis / Plant Design 162
Chapter 19. Design of a Membrane Process in a Countercurrent Operation for the Treatment of Industrial Effluents 162
Chapter 20. Feasibility of equilibrium-controlled reactive distillation processes: application of residue curve mapping 168
Chapter 21. Selection of Internals for Reactive Distillation Column - Case-based Reasoning Approach 174
Chapter 22. An Industrial Case Study in Simultaneous Design and Control using Mixed-Integer Dynamic Optimization 180
Chapter 23. Logic-Based Methods for Generating and Optimizing Thermally Coupled Distillation Systems 186
Chapter 24. Entrainer-Assisted Reactive Distillation: Application to Process Synthesis for Fatty Esters 192
Chapter 25. Catalytic Distillation Modeling 198
Chapter 26. Integration of Reaction and Separation in a Batch Extractive Distillation Column with a Middle Vessel 204
Chapter 27. MINLP Heat Exchanger Network Design Incorporating Pressure Drop Effects 210
Chapter 28. Hierarchical Approach for Selecting Uncertain Parameters at the Conceptual Stage of Design 216
Chapter 29. Optimal design of a continuous crystallizer with guaranteed parametric robust stability 222
Chapter 30. Modeling Coupled Distillation Column Sections Using Profile Maps 228
Chapter 31. Automating Reactor Network Synthesis: Finding a Candidate Attainable Region for Water-Gas Shift(WGS) Reaction 234
Chapter 32. Integrated Design of Cooling Water Systems 240
Chapter 33. Non-linear behaviour of PFR-separator-recycle polymerization systems 246
Chapter 34. Application of Transport Equations for Heat and Mass Transfer to Distillation of Ethanol and Water 252
Chapter 35. Synthesis of Reactor/Separator Networks by the Conflict-based Analysis Approach 258
Chapter 36. Systematic decision-making technology for optimal multiphase reaction and reaction/reactive separation system design 264
Chapter 37. Alternative Processes For Production Of Anhydrous Ethanol Through Salt Extractive Distillation With Reconstitution Of The Separation Agent 270
Chapter 38. Optimum Controllability of Distributed Systems based on Non-equilibrium Thermodynamics 276
Chapter 39. Internet-based equipment and model gallery 282
Chapter 40. Interval analysis for identification and bounding of potential process structures in early design 288
Chapter 41. Hydrodesulphurization of gasoils: Advantages of counter- current gas-liquid contacting 294
Chapter 42. Mixed-logic dynamic optimization applied to configuration and sequencing of batch distillation processes 300
Chapter 43. A General Framework for the Synthesis and Operational Design of Batch Processes 306
Chapter 44. Safe Process Plant Layout using Mathematical Programming 312
Chapter 45. Design of a Reactive Distillation Process For Ultra-Low Sulfur Diesel Production 318
Chapter 46. A Generalised Program for Fuel Cell Systems Simulation 324
Chapter 47. Reactive extraction process for concentrating citric acid using an electrolyte mixed solvent 330
Chapter 48. Synthesis of thermodynamically efficient distillation schemes for multicomponent separations 336
Chapter 49. Modelling of Multicomponent Reactive Absorption using Continuum Mechanics 342
Chapter 50. Optimization-based Methodologies for Integrating Design and Control in Cryogenic Plants 348
Chapter 51. Modeling Safety in a Distributed Technology Management Environment for More Cost- Effective Conceptual Design of Chemical Process Plants 354
Chapter 52. Synthesis of Azeotropic Separation Systems by Case-Based Reasoning 360
Chapter 53. MINLP Retrofit of Heat Exchanger Networks Comprising Different Exchanger Types 366
Chapter 54. Boundary crossing during azeotropic distillation ofwater-ethanol-methanol at total reflux: Influence of interphase mass transfer 372
Chapter 55. Comparison of different mathematical programming techniques for mass exchange network synthesis 378
Chapter 56. Optimal design of gas permeation membrane & membrane adsorption hybrid systems
Chapter 57. Mixed integer optimization models for the synthesis of protein purification processes with product loss 390
Chapter 58. Fresh Water by Reverse Osmosis Based Desalination Process: Optimisation of Design and Operating Parameters 396
Chapter 59. Batch Distillation of Zeotropic Mixtures in a Column with a Middle Vessel 402
Chapter 60. Wastewater Treatment Management Using Combined Water-Oxygen-Thermal Pinch Analysis 408
Chapter 61. Integrated Process Simulation and CFD for Improved Process Engineering 414
Process Dynamics and Control 420
Chapter 62. Frequency locking in a discontinuous periodically forced reactor 420
Chapter 63. Hybrid modelling: architecture for the solution of complex process systems 426
Chapter 64. Optimal Sensor Location and Reduced Order Observer Design for Distributed Process Systems 432
Chapter 65. Dynamic Modeling of Catalytic Hydrogenation of Pyrolysis Gasoline in Trickle-Bed Reactor 438
Chapter 66. An integrated dynamic modelling and simulation system for analysis of particulate processes 444
Chapter 67. Computer Aided Neuro-fuzzy Control in Anodizing of Aluminium 450
Chapter 68. Design of Tubular Reactors in Recycle Systems 456
Chapter 69. Controllability of reactive batch distillation columns 462
Chapter 70. Process Control Scheme for a 2-Bed-Pressure Swing Adsorption Plant 468
Chapter 71. Multiobjective Processes Controllability Analysis 474
Chapter 72. Control of the Rotary Calciner for Soda Ash Production 480
Chapter 73. A simulation tool for the wood drying process 486
Chapter 74. Optimisation of a methyl acetate production process by reactive batch distillation 492
Chapter 75. Computer design of a new predictive adaptive controller coupling neural networks and kalman filter applied to siso and mimo control 498
Chapter 76. Comparison of Dynamic Approaches for Batch Monitoring 504
Chapter 77. Optimisation and Experimental Verification of Startup Policies for Distillation Columns 510
Chapter 78. Optimal number of stages in distillation with respect to controllability 516
Chapter 79. Dynamic Optimisation of Batch Distillation with a Middle Vessel using Neural Network Techniques 522
Chapter 80. A Two-Level Strategy of Integrated Dynamic Optimization and Control of Industrial Processes – a Case Study 528
Chapter 81. Bayesian Parameter Estimation in Batch Polymerisation 534
Chapter 82. Super Model-Based Techniques for Batch Performance Monitoring 540
Chapter 83. Closed loop indicators for controllability analysis 546
Chapter 84. Non linear dynamics of a network of reactors with periodical feed switching 552
Chapter 85. Robust Model-based Controllers via Parametric Programming 558
Chapter 86. Dynamic Trajectory Optimization Between Unstable Steady-States of a Class of CSTRs 564
Chapter 87. MPC Control of a Predenitrification Plant Using Linear Subspace Models 570
Chapter 88. Relational modeling of chemical processes for control logic verification 576
Chapter 89. Development of Dynamic Models for Fixed Bed Catalytic Reactors 582
Chapter 90. Improving the Control of an Industrial Sugar Crystalliser: a Dynamic Optimisation Approach 588
Chapter 91. A Scheme for Whole Temperature Profile Control in Distributed Parameter Systems 594
Chapter 92. Dynamic Plantwide Modelling, Flowsheet Simulation and Nonlinear Analysis of an Industrial Production Plant 600
Chapter 93. Flatness-based optimization of batch processes 606
Chapter 94. Modeling and optimization of a sugar plant using hybrid Batch Model Predictive Control 612
Chapter 95. Development of an Internet-based Process Control System 618
Chapter 96. On-line optimal control of particle size distribution in emulsion polymerisation 624
Manufacturing and Process Operations 630
Chapter 97. Cyclic Production and Cleaning Scheduling of Multiproduct Continuous Plants 630
Chapter 98. Improving the Efficiency of Batch Distillation by a New Operation Mode 636
Chapter 99. Planning and scheduling the value-added chain 642
Chapter 100. Optimisation of Oilfield Development Production Capacity 648
Chapter 102. Optimal operation of fed-batch sugar crystallisation with recycle 654
Chapter 103. Economically optimal grade change trajectories: application on a Dow polystyrene process model 660
Chapter 104. Short-Term Scheduling of a Polymer Compounding Plant 666
Chapter 105. Short-Term Site- Wide Maintenance Scheduling 672
Chapter 106. Modelling Multi-site Production to Optimise Customer Orders 678
Chapter 107. A New Event-Driven MILP Formulation for Short-Term Scheduling of Continuous Production Facilities 684
Chapter 108. A supporting tool for improvement of batch manufacturing 690
Chapter 109. Comparison of three scheduling methods for a batch process with a recycle 696
Chapter 110. Computer-Aided Design of Redundant Sensor Networks 702
Chapter 111. Improving gelatin plant productivity by modelling the demineralisation process of animal bones 708
Chapter 112. A Mixed Integer Optimization Strategy for Integrated Gas/Oil Production 714
Chapter 113. Towards the optimisation of logistic decisions and process parameters of multipurpose batch plants 720
Chapter 114. Trilinear Models for Batch MSPC: application to an industrial batch pharmaceutical process 726
Chapter 115. A Mixed Integer Programming Approach for Scheduling Commodities in a Pipeline 732
Chapter 116. An MILP Framework for Short-Term Scheduling of Single-Stage Batch Plants with Limited Discrete Resources 738
Chapter 117. State-Space Residual Based Monitoring 744
Chapter 118. Performance Monitoring for Process Control and Optimisation 750
Chapter 119. Optimization of Naphtha Feedstock Blending for Integrated Olefins-Aromatics Plant Production Scheduling 756
Chapter 120. A Systematic Approach for the Optimal Operation and Maintenance of Heat Exchanger Networks 762
Chapter 121. Scheduling of Continuous Processes Using Constraint-Based Search: An Application to Branch and Bound 768
Chapter 122. Real Time Batch Process Optimization within the environment of the Flexible Recipe 774
Chapter 123. Smart Enterprise for Pulp & Paper Mills. Data Processing and Reconciliation
Chapter 124. A Framework for Consistency Analysis of Safety Properties and its Use in the Synthesis of Discrete-Event Controllers for Processes Systems 786
Chapter 125. Aggregated Batch Scheduling in a Feedback Structure 792
Chapter 126. Analysis of Parametric Sensibility of the Process of Production of Cyclohexanol 798
Chapter 127. On line optimisation of maintenance tasks management using RTE approach 804
Chapter 128. Operation Decision Support System using Plant Design Information 810
Chapter 129. Supply Chain Optimization Involving Long-Term Decision-Making 816
Chapter 130. Modelling the Liquefied Petroleum Gas Storage and Distribution 822
Chapter 131. A Successive Mixed Integer Linear Programming approach to the grade change optimization problem for continuous chemical processes 828
Computational Technologies 834
Chapter 132. An Integrated Framework for Multi-Objective Optimisation in Process Synthesis and Design 834
Chapter 133. An approximate optimal moving grid technique for the solution of dicretized population balances in batch systems 840
Chapter 134. Restructuring the Keywords Interface to Enhance CAPE Knowledge Acquisition via an Intelligent Agent 846
Chapter 135. Mining Textual Project Documentation in Process Engineering 852
Chapter 136. Multilevel Dynamical Models for Polydisperse Systems: a Volume Averaging Approach 858
Chapter 137. Open Software Architecture For Process Simulation:The Current Status of CAPEOPEN Standard 864
Chapter 138. An Open Software Architecture for Steady-State Data Reconciliation and Parameter Estimation 870
Chapter 139. TRIZ and the evolution of CAPE tools – From FLOWTRAN® to CAPE-OPEN–® and beyond 876
Chapter 140. Automatic Integration of High-Index Dynamic Systems 882
Chapter 141. Modeling work processes in chemical engineering –from recording to supporting 888
Chapter 142. A Multi-Cellular Distributed Model for Nitric Oxide Transport in the Blood 894
Chapter 143. Systems Engineering Approaches To Gene Expression Profiling 900
Chapter 144. A Concurrent Engineering Approach for an Effective Process Design Support System 906
Chapter 145. Agent-based Refinery Supply Chain Management 912
Chapter 146. Using Continuous Time Stochastic Modelling and Nonparametric Statistics to Improve the Quality of First Principles Models 918
Chapter 147. Moving mesh generation with a sequential approach for solving PDEs 924
Chapter 178. An Optimized Strategy for Equation-Oriented Global Optimization 930
Chapter 179. Nonlinear Analysis of gPROMS Models Using DIVA via a CAPE ESO Interface 936
Chapter 180. Model Transformations in Multi Scale Modelling 942
Chapter 181. Application of Hybrid Models in Chemical Industry 948
Chapter 182. Simulation of Two-Dimensional Dispersed Phase Systems 954
Chapter 183. Experimental Study and Advances in 3-D Simulation of Gas Flow in a Cyclone Using CFD 960
Chapter 184. A new algorithm for developing dynamic radial basis function neural network models based on genetic algorithms 966
Chapter 185. Synthesis of large-scale models: Theory and implementation in an industrial case 972
Chapter 186. Prediction of the Joint Molecular Weight-Long Chain Branching Distribution in Free-Radical Branched Polymerizations 978
Chapter 187. Multiobjective Dynamic Optimization of Semi-Continuous Processes 984
Chapter 188. A MILP approach to the optimization of the operation policy of an emulsification process 990
Chapter 189. The Effect of Modelling Assumptions on the Differential Index of Lumped Process Models 996
Chapter 190. Dynamic Simulation of Continuous Crystallizers by Moving Finite Elements with Piecewise Polynomials 1002
Chapter 191. An Object-Oriented Framework for Bill of Materials in Process Industries 1008
Chapter 192. A Hybrid Global Optimization Approach for Solving MINLP Models in Product Design 1014
Chapter 193. Cluster Identification using a Parallel Co-ordinate System for Knowledge Discovery and Nonlinear Optimization 1020
Chapter 194. Application of CFD on a Catalytic Rotating Basket Reactor 1026
Sustainable CAPE Education and careers for Chemical Engineers 1032
Chapter 195. A post-graduate study in process design: An innovative model in the Netherlands 1032
Chapter 196. Preconceptions and typical problems of teaching with process simulators 1038
Chapter 197. A Novel Course on Integrated Batch-Plant Management 1044
Chapter 198. Designing a Multi-user Web-based Distributed Simulator for Process Control eLearning 1050
Author Index 1056
Sustainable CAPE-education and careers for chemical engineers
Bart Drinkenburg Technische Universiteit Eindhoven, DSM Research, Geleen, The Netherlands
Abstract
Chemical engineering education is in need to include new elements. Business of the Process Industry in the developed world is shifting from specification to performance products. More attention is then required for product technology and product development.
Students are given tools for technology build-up, but not for technology handling. Therefore a good basis in technology management is also essential in the chemical engineering study.
CAPE has organically grown to be very important part in design and operation and should also be given a fair share in the programme. This all means that choices have to be made and that at least a specialized MSc in chemical product/process engineering is necessary. Such a clear cut choice might well attract more students.
In industrial practice CAPE steadily gains more importance, not only as a tool but also because plants are increasingly dependant upon CAPE and control. A CAPE background, as well as such in Process Control will in the future be very valid, perhaps even necessary, for eg. plant management jobs.
1 Introduction
It has always been point of discussion whether education, or schooling, has to follow societal demand or that society can pick its choice from whatever is offered and has to take on further schooling within the individual companies and institutes. The question arises most often within universities where the concept of academic proliferation is a hot issue in words, but seldom in contents. In our chemical world such has led to a basic structure where in the first part of the study emphasis is laid on acquiring tools and in the later part (M.Sc. and Ph.D) research is a prominent part.
In many universities, especially in Germany and the Netherlands, it has even gone so far that the M.Sc. part is merely seen as the introductory phase to do a Ph.D.
Now all over Europe the position has to be reconsidered due to the Bologna agreement and because of major changes that develop in the process industry.
I will limit myself to the chemical engineering education and mirror that to the work chemical engineers have to do within their jobs once they have left university. The latter will already tell that I see university as professional schooling and I immediately follow up this statement that this is not in contradiction with the academic stature. Or, to make it simple: an academic study not only has to follow society, industry being part of it, it has also to anticipate on changes that are likely to occur in that society.
To be more explicit: academic level has to do with analyzing complex problems and, if possible, finding solutions. Especially the first part, analyzing complex problems, is important. What is the context of the problem, how is fact-finding to be organized. Only then possible directions to solutions can be found and ranked, only then good work can be done.
Especially engineers, educated in terms of tools, experience great troubles with the analysis part. They are schooled in problems with two or three parameters that deliver answers in three decimals accuracy. But then, in practice, they are confronted with many context parameters that only can be weighted and no arithmetics are available.
It will much improve the level of creativity of our students if we introduce such problems early in the engineering studies, at the time the students are most sensitive to it!
2 Nowadays chemical engineering education
Chemical engineering has become a discipline in the twentieth century, not the least because it was largely stimulated in university by financial contributions from industrial companies. It has developed along a few lines, called by James Wei (1) paradigms. The first was the paradigm, I prefer concept, of unit operations. Unit operations like distillation, extraction, sorption, not only provided a generalized method for separation processes. Also, and more important, unit operations established firmly countercurrent processes as an effective and efficient method. Moreover, since it showed that many different types of industrial activity indeed had a common methodological background, it laid the foundation of the concept Process Industry.
In the fifties the work of Bird, Stewart and Lightfoot (2) digged deeper and the concept of physical transport phenomena was introduced, not only important for what was called during that time “physical technology” but even more for reactor calculations and reactor development. Process Integration then followed together with the extremely rapid introduction and development of Process Control, once we got rid of pneumatic control through the powerful introduction of process computers and electronic control from the seventies on. Table 1 provides the layered build-up of the chemical engineering discipline as it stands now on a strong basis of first principles.
Table 1
Build up of the discipline
5. Manufacturing and technology management
4. Process integration
3. Equipment modeling
2. Kinetics
1. Thermodynamics
0. Basic chemistry, physics, biology, mathematics, economy
Building on knowledge in basic sciences like chemistry, physics, etc. a first layer of thermodynamics is present, often considered to be part of layer zero, but more often than not to be redone in chemical engineering education because of two reasons: firstly because students are unacquainted with how to apply thermodynamics in practical situations like phase equilibria and flow-through systems, secondly because they have gathered the impression that thermodynamics forbid to break through equilibria while the essential work of chemical engineers is just doing that to complete conversions and separations. Nevertheless, thermodynamics supply essential data, eg. physical and chemical equilibria.
Layer 2, kinetics be it in reactions kinetics or in transport phenomena describes the basic mechanisms and through this alone already provides an rough impression of the size of the equipment needed. Thinking in time constants is a difficult but essential part to teach here, since it provides a background for process dynamics.
Layer 3, modeling, precizes the equipment in terms of design variables, both for reactors, separation equipment and some auxiliary equipment.
In the layer process integration the process layout, HES, flow sheeting, instrumentation, process dynamics, process control, logistics and many details are worked out, including start up and shut down. CAPE is extremely useful in this part.
The layer manufacturing and technology management is almost non-existent in chemical engineering as a discipline and a serious lack in the education.
Now, of course, this layered model is not representative for the way chemical engineering is applied in practice, which is problem-oriented. Then the starting point will be, especially in Research and Development, process synthesis, providing rough alternatives for process lay-out, followed by onion-skin procedures as reactor configuration, separation processes, logistics, heat/energy integration, process control. There is an inherent danger in this approach, upon I will come back later.
In general terms it can be said that the methodology and the tools are very connected to practice in the petrochemical industry, not surprising given the gigantic growth of the industry in the time period that chemical engineering developed into a discipline.
3 What is going on in the process industry?
The process industry, as said, showed a very rapid expansion after world war II, both in production volumes and in scale of the plants. Environmental problems, including safety, extended from local impact to regional and later even to global issues. Consequently great efforts and investments were done in waste abatements, energy efficiency and process mastering and control. Modeling and subsequently CAPE have played and play a very important, not to say a dominant, role in making the process industry an example of good manufacturing practice, especially in the base chemical industry.
But in the mean time there are also considerable shifts in the industry itself.
Reorientation cause major mergers in the base chemical and material industry, often called the commodity industry, leading to potential cost reductions in the business environment as marketing and sales, business development and research and development.
It means less work for professionals but at a high level.
In contrast with this is the situation in the areas of life sciences/fine chemicals and performance materials. Here there is much to do. Large companies are shedding off their divisions, others reorientate on acquiring just these parts. Splitting occurs here as often as mergers. In a technological sense these companies are on the average working at a relatively low level of technology and this is very challenging.
It is questionable whether this work will be done in house or via outsourcing even to the point that research and development and possibly manufacturing will be outsourced. Behind this thinking are a number of reasons:
■ quality: in a modern company it is extremely difficult to keep up quality of the work in technological issues. Employees are expected, certainly at academic level, to broaden their view by job rotation. Youngsters enter the company, see the opportunities and after four years say goodbye to in particular Rand...
| Erscheint lt. Verlag | 29.4.2002 |
|---|---|
| Sprache | englisch |
| Themenwelt | Informatik ► Weitere Themen ► CAD-Programme |
| Naturwissenschaften ► Chemie ► Technische Chemie | |
| Technik ► Bauwesen | |
| Technik ► Maschinenbau | |
| Technik ► Umwelttechnik / Biotechnologie | |
| ISBN-10 | 0-08-053131-8 / 0080531318 |
| ISBN-13 | 978-0-08-053131-1 / 9780080531311 |
| Haben Sie eine Frage zum Produkt? |
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