Advances in Process Systems Engineering - Vol. 3
RECENT ADVANCES
IN SUSTAINABLE
PROCESS DESIGN
AND OPTIMIZATION
With CD-ROM
editors
Dominic C Y Foo
University of Nottingham Malaysia, Malaysia
Mahmoud M El-HalwagiTexasA&M University, USA
Raymond R Tan
De La Salle University-Manila, Philippines
\[p World Scientific
NEW JERSEY • LONDON • SINGAPORE • BEIJING • SHANGHAI • HONG KONG • TAIPEI • CHENNAI
CONTENTS
Prefacev
List of Contributors xi
Section 1: Process Modeling 1
1. Estimation of Exergy Dissipation and Cost: The
Foundation for Sustainability Assessment in Process Design 3
Authors: L. T. Fan & T. Zhang
1 Introduction, 3
2 Thermodynamic Foundations 4
2.1 Reference states 4
2.1.1 Standard state 4
2.1.2 Dead state 5
2.2 Balances of mass, energy, entropy-dissipation,and available energy 11
2.2.1 Mass balance 13
2.2.2 Energy balance 14
2.2.3 Entropy-dissipation balance 16
2.2.4 Available energy balance 17
2.3 First-law and second-law conservation (process)efficiencies 18
2.4 Simple systems 22
2.4.1 Thermal mixing 22
2.4.1.1 Numerical illustration 24
2.4.2 Biomass pyrolysis 27
3 Economic Foundations 34
3.1 Cost estimation 35
3.1.1 External cost 35
3.1.2 Internal cost 37
xix
XX Contents
4 Sustainability Assessment 39
4.1 Sustainability potential 39
4.1.1 Methodology 40
4.1.1.1 Determination of alternative syntheticroutes 41
4.1.1.2 Hierarchical assessment of the
sustainability-potential of alternative
synthetic routes 45
4.1.2 Applications 48
4.2 Sustainable Process Index 49
4.3 AIChE Sustainability Index (SI) 51
4.4 Hierarchical thermodynamic metrics 53
4.4.1 Multi-scale system 54
4.4.2 Aggregation hierarchy 54
4.4.3 Spatial hierarchy 56
5 Epilog 59
2. Life Cycle Assessment (LCA) 65
Authors: L. T. Fan & T. Zhang
1 Phases of Life Cycle Assessment (LCA) 65
1.1 Phase 1: Goal and scope definition 65
1.2 Phase 2: Inventory analysis 66
1.3 Phase 3: Impact assessment 69
1.4 Phase 4: Interpretation 74
2 Calculating Environmental Burdens and Impacts in LCA —
An Example 74
3 Thermodynamic Input-Output LCA (TIO-LCA) 75
4 Ecologically-Based Life Cycle Assessment (Eco-LCA) ....76
3. Transport Model for Nanofiltration and Reverse Osmosis
System based on Irreversible Thermodynamic 79
Author: M. F. Chong
1 Introduction 79
2 Transport Mechanistic and Irreversible Thermodynamicsbased Transport Models for NF and RO membranes ....
80
3 Fundamental of Irreversible Thermodynamicsin Membrane System 81
Contents xxi
4 Spiegler-Kedem Model for Single Solute System 85
5 Spiegler-Kedem Model for Multiple Solute Systems 87
5.1 Spiegler-Kedem model for binary solutes system ... 88
5.2 Extended Spiegler-Kedem model for multiplesolute systems 89
5.3 Spiegler-Kedem model for multiple solutes system
in differential equation form 90
5.4 Kedem-Katchalsky model for binary solutes systemwith one impermeable solute 90
5.5 Kedem-Katchalsky model for nonelectrolyte, dilute,
multiple solute systems 91
5.5.1 Case study 1: Binary solutes system 91
5.5.2 Case study 2: Ternary solute system 93
6 Process Design for Membrane Systems 96
7 Conclusion 102
4. Analysis of a Novel Method for Inhibiting RunawayReaction via Process Modeling 107
Authors: H. H. Lou, S. Dusija, X. Li, J. L. Gossage &J. R. Hopper
1 Introduction 107
2 Polymerization Reaction and Polymer Properties 109
2.1 Polymerization kinetics 109
2.2 Polymer properties Ill
2.3 Polymer reactions in CSTR/batch reactors. 113
3 Case Study of Inhibition 113
3.1 Reaction kinetics for vinyl acetate polymerization ... 115
3.2 Selection of inhibitor 115
3.3 Simulation of reaction runaway and inhibition
in batch process 118
3.4 Simulation of reaction runaway and inhibition
for emergency shutdown of a CSTR 122
3.5 Effect on polymer properties for continuous
operations 124
4 Conclusions and Inference 127
xxii Contents
Section 2: Material Resource Conservation
and Waste Reduction 131
5. Resource Conservation through Pinch Analysis 133
Author: D. C. Y. Foo
1 Introduction 133
2 Design Tools for Resource Conservation 134
2.1 Targeting tools 134
2.1.1 Material recovery pinch diagram (MRPD) . . -134
2.1.2 Material surplus composite curves (MSCC) . .136
2.1.3 Cascade analysis technique 137
2.2 Network Design Techniques 139
3 Examples of RCN 140
3.1 Water network synthesis 140
3.2 Gas network 144
3.3 Property network 149
4 Further Improvement 155
5 Conclusion 155
6. Optimal Water Network with Internal Water Mains
and Its Industrial Application 159
Authors: X. Feng, J. Bai, R. Shen & C. Deng
1 Introduction 159
2 Use of Water Mains 160
3 Optimal Design of Water Network with Internal Water Mains 162
3.1 Superstructure of Water Network with Internal Water
Mains 162
3.2 Mathematical Modeling for the Water Network
Superstructure with Internal Water Mains 164
3.2.1 Determining the number of internal water mains 164
3.2.2 Optimization on freshwater consumption .... 164
3.2.3 Structure constraints 166
3.2.4 Solving the model 168
4 Optimal Design of Water Network Involving Wastewater
Regeneration Recycle with Internal Water Mains 168
4.1 Superstructure of Water Networks InvolvingWastewater Regeneration Recycle with Internal Water
Mains 168
Contents xxiii
4.2 Mathematical Modeling for the Water Network
Superstructure Involving Wastewater Regeneration
Recycle with Internal Water Mains 169
4.2.1 Minimizing the freshwater consumption .... 169
4.2.2 Minimizing regenerated water flowrate 171
4.2.3 Minimizing regeneration load 171
5 Industrial Applications 172
5.1 Optimizing Procedure 172
5.2 Rules to Determine Limiting Water Data 173
5.3 Adjustment Principles 174
6 Case Study I: A PVC and Sodium Hydroxide Plant 175
6.1 Current Water System 175
6.2 Determining Contaminants and LimitingConcentrations 175
6.3 Optimizing Scheme with Water Reuse/Recycle ....180
7 Case Study II: An Ammonia Plant 184
7.1 Current Water System 184
7.2 Determine Contaminants and Limiting Concentrations 186
7.3 Optimizing Scheme with Water Regeneration
Reuse/Recycle 188
7. Mathematical Models for Optimal Resource Utilization
in Process Industries 195
Author: A. Chakraborty
1 Introduction 195
1.1 Mathematical modelling of the resource allocation
planning problem 198
1.2 Topological constraints 199
1.2.1 Uneconomical matches based on flowrates —
An example of conditional matching 200
1.2.2 MINLP formulation with topological constraints 200
1.2.3 MILP formulation with topological constraints.
202
2 Water Recycle Opportunities in Process Industries 204
2.1 Solution approaches 206
2.2 Example — A textile industry freshwater minimization
problem 207
2.2.1 Graphical analysis 207
2.2.2 Linear programming 208
xxiv Contents
2.2.3 Interpretation of results based on heuristics. .
209
2.2.4 Constraints based on heuristics — An exampleof stream prioritization 210
2.2.5 The textile industry problem with topologicalconstraints 210
2.3 Computation performance of MILP model on
large-size problems — An example from the pulp &
paper industry 211
3 Optimal Solvent Recovery from Pharmaceutical Wastes. .
213
3.1 Example — Waste management in a typical
pharmaceutical company 215
3.1.1 Marketable product portfolio (sinks) ......215
3.1.2 Base case policy 217
3.1.3 Comparison of base case policy with other
waste management policies 217
3.1.4 Conditioning of wastes to marketable products 219
3.1.5 Economic potential analysis 221
4 Preconditioning of Resources Prior to Allocation —
Synthesis of Optimal Mixer-Separator Networks 221
4.1 Pruning of search space 223
4.2 Mathematical model for optimal resource allocation
with pre-conditioning 224
4.3 Illustrative example 225
5 Conclusions/Significance 227
8. Wastewater Minimisation in Batch Chemical Plants:
Single Contaminant Media 233
Author: T. Majozi
1 Background to Wastewater Minimisation in Batch Plants .
234
2 Problem Statement 235
3 Problem Superstructure 236
4 Mathematical Model• • •
238
4.1 Water reuse/recycle module 238
4.2 Sequencing/scheduling module 244
4.2.1 Sequencing in the absence of reusable water
storage 245
4.2.2 Sequencing in the presence of reusable water
storage 246
ContentsXXV
4.3 Objective function 249
5 First Case Study 249
5.1 Water reuse/recycle module 250
5.2 Sequencing/scheduling module 251
5.3 Computational results 251
6 Second Case Study 254
6.1 Capacity constraints 257
6.2 Mass ratio constraints 257
6.3 Computational results 257
7 Concluding Remarks 260
9. Wastewater Minimisation in Batch Chemical Plants:
Multiple Contaminant Media 265
Authors: T. Majozi & J. Gouws
1 Multiple Contaminant Wastewater Minimisation
Background 265
2 Problem Statement 266
3 Mathematical Formulation 266
3.1 Mass balance constraints 267
3.1.1 Mass balance constraints without storage .... 267
3.1.2 Mass balance constraints including central
storage 270
3.2 Sequencing and scheduling constraints 272
3.2.1 Task scheduling constraints 273
3.2.2 Recycler/reuse sequencing constraints 274
3.2.3 Sequencing and scheduling constraints
associated with storage 275
3.2.4 Feasibility and time horizon constraints 277
3.3 Objective function 277
4 Solution Procedure 278
5 Illustrative Examples 278
5.1 First illustrative example 279
5.1.1 Solution with no central storage vessel 280
5.1.2 Solution with central storage 281
5.2 Second illustrative example 284
6 Conclusions 286
xxvi Contents
10. Adaptive Swarm-Based Simulated Annealing
for the Synthesis of Water Networks 291
Author: R. R. Tan
1 Introduction 291
2 Simulated Annealing 293
3 Swarm Annealing I 294
4 Swarm Annealing II 297
5 Algorithm Implementation and Testing 298
6 Test Problems 299
6.1 Casel 299
6.2 Case 2 303
7 Discussion of Results 306
8 Conclusion 307
11. Optimal Wastewater Network Design 311
Authors: J. M. Jezowski, G. Poplewski & I. Dzhygyrey
1 Introduction 311
2 WWTN Problem Formulation and Description 314
3 Literature Overview 316
4 Hybrid Approach for WWTN 322
4.1 Overview of the approach 322
4.2 Targeting stage 323
4.3 Structure development optimization stage 325
4.4 Final optimization stage 326
4.5 Example of application 327
5 Simultaneous Approach with the Use of Stochastic
Optimization Method 330
5.1 Superstructure and optimization model 330
5.2 Overview of solution approach 334
5.3 Examples of application 336
Section 3: Energy Conservation and Efficiency 349
12. Clean Energy and C02 Capture, Transport and Storage 351
Authors: M. S. Ba-Shammakh, A. Elkamel, H. Hashim,
P. Douglas & E. Croiset
1 Introduction 351
Contents xxvii
2 Overview of Power Generation 352
2.1 Fossil fuel power plants 353
2.2 Hydroelectric power plant 353
2.3 Nuclear power plants 354
2.4 Renewable sources power plants 354
3 CO2 Reduction Options 355
3.1 Power plant efficiency improvement 355
3.1.1 Pulverized coal power plant (PC) 357
3.1.2 Integrated gasification combined
cycle (IGCC) 357
3.1.3 Natural gas combined cycle (NGCC) 358
4 CO2 Capture and Sequestration 358
4.1 C02 capture 358
4.1.1 Chemical solvent absorption 358
4.1.2 Physical absorption 360
4.1.3 Physical adsorption 360
4.1.4 Cryogenic separation 360
4.1.5 Membrane separation 361
4.1.6 O2/CO2 combustion processes 361
4.1.7 Chemical looping combustion 361
4.1.8 Biological capture process 362
4.2 Sequestration 362
4.2.1 Geologic storage 363
4.2.1.1 Depleted oil and gas reservoirs ....363
4.2.1.2 Enhanced oil recovery 363
4.2.1.3 Deep saline formations 363
4.2.2 Ocean storage 364
5 Optimization and Planning Models for Power Plants ....365
6 Superstructure Representation 368
7 Mathematical Model Development 371
8 Case Study 382
9 Summary 393
13. P-Graph: An Efficient Process Synthesis Tool.
Application to Fuel Cell-Based Energy Generation 399
Author: P. Varbanov
1 Introduction 399
2 Basics of P-graph 400
xxviii Contents
2.1 The need for advanced process network optimisation
tools 400
2.2 Process representation with P-graph 401
2.3 Advantages of the P-graph representation 402
2.4 Foundation of the P-graph framework: The axioms . .402
2.5 Algorithms for the network manipulation and
optimisation 403
3 Engineering Context: FCCC Systems and Biomass
Resources 405
3.1 Processing steps 405
3.2 Efficiency of FC and combined cycles 405
4 Modelling Procedures 406
4.1 General synthesis procedure 406
4.2 Representation of the operating and capital costs . . .407
4.3 Optimisation objective 407
4.4 Sensitivity analysis procedure 407
5 Applying P-Graph: Heat and Power Generation Using
FCCC 408
5.1 Case study description 408
5.1.1 Materials and streams 408
5.1.2 Candidate operating units 408
5.2 Results and Discussion 411
6 Summary 418
7 Sources of Further Information 419
14. A Process Integration Framwork for the Optimal
Design of Combined Heat and Power Systemsin the Process Industries 423
Authors: R. Mahmud, D. Harell & M. El-Halwagi
1 Introduction 423
2 Problem Statement 427
3 Overall Approach 429
3.1 Mass integration and heat integration approach ....430
4 Steam Header Balance 437
5 Energy Integration Approach 439
6 Extractable Work Method 441
6.1 Case 1: Excess process steam without external fuel . .444
6.2 Case 2: Excess steam with external fuel 445
Contents xxix
7 Case Study 446
8 Conclusions 456
15. Design and Optimisation of Low Temperature
Energy Systems 463
Author: J.-K. Kim
1 Introduction 463
2 Design of Refrigeration Systems 465
2.1 Refrigeration cycle with pure refrigerant 465
2.2 Heat-integrated cooling and refrigeration 469
2.3 Refrigeration cycle with mixed refrigerants 471
2.4 Optimisation of refrigeration cycles 474
2.5 Case study 475
3 Driver Selection, Design and Optimisation 477
4 Total Site-wide Utility Systems 479
5 Summary 481
16. Indirect Heat Integration of Batch Processes 485
Authors: C.-L. Chen, Y.-J. Ciou & D. C. Y. Foo
1 Introduction 485
2 Characteristics of Streams in Batch Processes 486
3 Operating Schemes of Batch Heat Integration 487
4 Pinch Analysis Approach for Indirect Heat Integration . . .489
4.1 Indirect integration with two-storage system 490
4.2 Indirect integration with three-storage system 497
5 Mathematic Programming Approach for Indirect Heat
Integration Scheme 500
5.1 Superstructure 502
5.2 Formulation 504
5.3 Example 2: Single product batch plant 507
5.4 Heat integration with two storage tanks 511
5.5 Heat integration with three storage tanks 513
6 Example 3: A Brewing Process 517
7 Conclusion 525
17. Energy Efficiency and the Integration of Waste
and Renewable Energy Sources 531
Authors: J. J. Klemes, S. J. Perry & I. Bulatov
XXX Contents
1 Introduction 531
2 Heat Integration 534
3 Total Site Targeting 542
4 Waste and Renewable Energy Sources 547
4.1 Heat pump547
4.2 Geothermal 548
4.3 Biomass 548
4.4 Solar energy 549
5 Locally Integrated Energy Sector Case Study 550
6 Conclusions 556
18. A Novel Design Procedure for Solar Thermal Systems 561
Author: S. Bandyopadhyay
1 Introduction 561
2 Solar Thermal System Design 562
3 Mathematical Model 563
4 Generation of Design Space 565
4.1 Establishment of design limit based on load
temperature 567
4.2 Establishment of design limit based on maximum
temperature 568
4.3 Overall design space and its significance 569
5 Conclusions 572
19. Energy Saving in Drying Processes 577
Authors: C. L. Law & A. S. Mujumdar
1 Introduction 577
2 Why Conventional Dryers Have Low Energy Efficiency . .•
578
3 Classification •579
3.1 Direct firing 579
3.2 Electric heating 580
3.3 Heat recovery581
3.3.1 Heat pump581
3.3.2 Use of phase change material (PCM) •582
3.4 Control of dryer • 582
4 Case Studies •582
4.1 Direct firing •583
4.1.1 Case study: Fluidized bed dryer 583
Contents xxxi
4.2 Electric heating 584
4.3 Heat recovery 584
4.3.1 Case study: Spray dryer 584
4.3.2 Case study: Heat pump 586
4.4 Control strategy 586
4.4.1 Case study: Model predictive control 586
4.4.2 Case study: Feedback controller 588
4.4.3 Case study: Model predictive control 588
5 General Guidelines for Energy Savings 588
6 Conclusion 589
20. "Two Birds with One Stone": Simultaneous Waste Heat
Recovery and Emission Reduction in Gas/OilSeparation Plants 593
Author: M. B. Noureldin
1 Introduction 593
2 Oil-Gas Separation Plants 595
2.1 Process description, of a gas/oil separation plant
(GOSP) 595
3 Heat Integration and Software Application in the
GOSP 596
4 Results and Discussion of Heat Integration Application in
the GOSP 598
5 Summary of Comparison 606
6 Conclusions 606
21. Energy Management for the Process Industries 609
Author: A. Rossiter
1 Introduction 609
2 Industry Response 610
2.1 Best practices in operation and maintenance 611
2.1.1 Electric supply 611
2.1.2 Steam system maintenance 612
2.1.3 Compressed air systems 613
2.1.4 Heat exchanger cleaning 614
2.1.5 Fired heaters 614
2.1.6 Process equipment 615
2.2 Identifying economic investment opportunities 618
xxxii Contents
2.2.1 Employee contests 618
2.2.2 Process reviews 619
2.2.3 Pinch analysis 619
2.2.4 Steam system rebalancing 621
2.2.5 By-product synergies 624
2.3 Management systems to sustain progress 626
3 Conclusions 627
Appendix 1: The Procedure for Determining the Datum Level
Materials 629
Authors: L. T. Fan & Tengyan Zhang
Appendix 2: Estimation of the Specific Chemical Enthalpy,
Entropy, and Exergy (Availability) 645
Authors: L. T. Fan & Tengyan Zhang
Appendix 3: Derivation of the Mass, Energy, Entropy-
dissipation and Available Energy Balances for
an Unsteady-state Open Flow System 661
Authors: L. T. Fan & Tengyan Zhang
Appendix 4: Estimation of Energy (Enthalpy) and Exergy
(Availability) Contents in Structurally
Complicated Materials 675
Authors: L. T. Fan & Tengyan Zhang
Appendix 5: Reaction-Network Synthesis Via the
Graph-Theoretic Method Based on P-graphs:
Vinyl-Chloride Synthesis 711
Authors: L. T. Fan & Tengyan Zhang
Appendix 6: Application of Sustainability Potential:
Manufacture of Vinyl Chloride (C2H3C1) 725
Authors: L. T. Fan & Tengyan Zhang
Contents xxxiii
Appendix 7: Emergy and Exergy (Availability) 737
Authors: L. T. Fan & Tengyan Zhang
Appendix 8: 747
Authors: H. H. Lou, S. Dusija, X. Li,
J. L. Gossage & J. R. Hopper
Appendix 9: Mathematical models via Lingo 8.0 773
Authors: X. Feng, J. Bai, R. Shen & C. Deng
Appendix 10: Brief Manual — How to Code WWTN
Problem in OPTY-STO Modeling System 787
Author: J. M. Jezowski, G. Poplewski &
I. Dzhygyrey
