Recent advances in sustainable process design and optimization

Cover......Page 1
Advances in Process Systems Engineering......Page 3
Recent Advances in Sustainable Process Design and Optimization......Page 4
©......Page 5
Preface......Page 6
List of Contributors......Page 12
Contents......Page 20
Section 1: Process Modeling......Page 36
1 Introduction......Page 38
2.1.1 Standard state......Page 39
2.1.2 Dead state......Page 40
2.2 Balances of mass, energy, entropy-dissipation, and available energy......Page 46
2.2.1 Mass balance......Page 48
2.2.2 Energy balance......Page 49
2.2.3 Entropy-dissipation balance......Page 51
2.2.4 Available energy balance......Page 52
2.3 First-law and second-law conservation (process) efficiencies......Page 53
2.4.1 Thermal mixing......Page 57
2.4.1.1 Numerical illustration......Page 59
2.4.2 Biomass pyrolysis......Page 62
3 Economic Foundations......Page 69
3.1.1 External cost......Page 70
3.1.2 Internal cost......Page 72
4.1 Sustainability potential......Page 74
4.1.1 Methodology......Page 75
4.1.1.1.1. P-graph representation......Page 76
4.1.1.1.2. Axioms......Page 77
4.1.1.1.3. Algorithms......Page 78
4.1.1.2.1. Available energy (exergy) dissipation......Page 80
4.1.1.2.2. Potential profit......Page 81
4.1.1.2.3. Toxicity indices......Page 82
4.1.2 Applications......Page 83
4.2 Sustainable Process Index......Page 84
4.3 AIChE Sustainability Index (SI)......Page 86
4.4 Hierarchical thermodynamic metrics......Page 88
4.4.2 Aggregation hierarchy......Page 89
4.4.3 Spatial hierarchy......Page 91
5 Epilog......Page 94
References......Page 95
1.1 Phase 1: Goal and scope definition......Page 100
1.2 Phase 2: Inventory analysis......Page 101
1.3 Phase 3: Impact assessment......Page 104
2 Calculating Environmental Burdens and Impacts in LCA — An Example......Page 109
3 Thermodynamic Input-Output LCA (TIO-LCA)......Page 110
4 Ecologically-Based Life Cycle Assessment (Eco-LCA)......Page 111
References......Page 112
1 Introduction......Page 114
2 Transport Mechanistic and Irreversible Thermodynamics based Transport Models for NF and RO membranes......Page 115
3 Fundamental of Irreversible Thermodynamics in Membrane System......Page 116
4 Spiegler–Kedem Model for Single Solute System......Page 120
5 Spiegler–Kedem Model for Multiple Solute Systems......Page 122
5.1 Spiegler–Kedem model for binary solutes system......Page 123
5.2 Extended Spiegler–Kedem model for multiple solute systems......Page 124
5.4 Kedem–Katchalsky model for binary solutes system with one impermeable solute......Page 125
5.5.1 Case study 1: Binary solutes system......Page 126
5.5.2 Case study 2: Ternary solute system......Page 128
6 Process Design for Membrane Systems......Page 131
List of symbols......Page 137
References......Page 139
1 Introduction......Page 142
2.1 Polymerization kinetics......Page 144
2.2 Polymer properties......Page 146
3 Case Study of Inhibition......Page 148
3.2 Selection of inhibitor......Page 150
3.3 Simulation of reaction runaway and inhibition in batch process......Page 153
3.4 Simulation of reaction runaway and inhibition for emergency shutdown of a CSTR......Page 157
3.5 Effect on polymer properties for continuous operations......Page 159
Nomenclature......Page 162
References......Page 164
Section 2: Material Resource Conservation and Waste Reduction......Page 166
1 Introduction......Page 168
2.1.1 Material recovery pinch diagram (MRPD)......Page 169
2.1.2 Material surplus composite curves (MSCC)......Page 171
2.1.3 Cascade analysis technique......Page 172
2.2 Network Design Techniques......Page 174
3.1 Water network synthesis......Page 175
3.2 Gas network......Page 179
3.3 Property network......Page 184
References......Page 190
1 Introduction......Page 194
2 Use of Water Mains......Page 195
3.1 Superstructure of Water Network with Internal Water Mains......Page 197
3.2.2 Optimization on freshwater consumption......Page 199
3.2.3 Structure constraints......Page 201
4.1 Superstructure of Water Networks Involving Wastewater Regeneration Recycle with Internal Water Mains......Page 203
4.2.1 Minimizing the freshwater consumption......Page 204
4.2.3 Minimizing regeneration load......Page 206
5.1 Optimizing Procedure......Page 207
5.2 Rules to Determine Limiting Water Data......Page 208
5.3 Adjustment Principles......Page 209
6.2 Determining Contaminants and Limiting Concentrations......Page 210
6.3 Optimizing Scheme with Water Reuse/Recycle......Page 215
7.1 Current Water System......Page 219
7.2 Determine Contaminants and Limiting Concentrations......Page 221
7.3 Optimizing Scheme with Water Regeneration Reuse/Recycle......Page 223
Nomenclature......Page 226
References......Page 228
1 Introduction......Page 230
1.1 Mathematical modelling of the resource allocation planning problem......Page 233
1.2 Topological constraints......Page 234
1.2.2 MINLP formulation with topological constraints......Page 235
1.2.3 MILP formulation with topological constraints......Page 237
2 Water Recycle Opportunities in Process Industries......Page 239
2.1 Solution approaches......Page 241
2.2.1 Graphical analysis......Page 242
2.2.2 Linear programming......Page 243
2.2.3 Interpretation of results based on heuristics......Page 244
2.2.5 The textile industry problem with topological constraints......Page 245
2.3 Computation performance of MILP model on large-size problems — An example from the pulp & paper industry......Page 246
3 Optimal Solvent Recovery from Pharmaceutical Wastes......Page 248
3.1.1 Marketable product portfolio (sinks)......Page 250
3.1.3 Comparison of base case policy with other waste management policies......Page 252
3.1.4 Conditioning of wastes to marketable products......Page 254
4 Preconditioning of Resources Prior to Allocation — Synthesis of Optimal Mixer-Separator Networks......Page 256
4.1 Pruning of search space......Page 258
4.2 Mathematical model for optimal resource allocation with pre-conditioning......Page 259
4.3 Illustrative example......Page 260
5 Conclusions/Significance......Page 262
References......Page 263
8. Wastewater Minimisation in Batch Chemical Plants: Single Contaminant Media Author: T. Majozi......Page 268
1 Background to Wastewater Minimisation in Batch Plants......Page 269
2 Problem Statement......Page 270
3 Problem Superstructure......Page 271
4.1 Water reuse/recycle module......Page 273
4.2 Sequencing/scheduling module......Page 279
4.2.1 Sequencing in the absence of reusable water storage......Page 280
4.2.2 Sequencing in the presence of reusable water storage......Page 281
5 First Case Study......Page 284
5.1 Water reuse/recycle module......Page 285
5.3 Computational results......Page 286
6 Second Case Study......Page 289
6.3 Computational results......Page 292
7 Concluding Remarks......Page 295
Nomenclature......Page 296
References......Page 297
1 Multiple Contaminant Wastewater Minimisation Background......Page 300
3 Mathematical Formulation......Page 301
3.1.1 Mass balance constraints without storage......Page 302
3.1.2 Mass balance constraints including central storage......Page 305
3.2 Sequencing and scheduling constraints......Page 307
3.2.1 Task scheduling constraints......Page 308
3.2.2 Recycler/reuse sequencing constraints......Page 309
3.2.3 Sequencing and scheduling constraints associated with storage......Page 310
3.3 Objective function......Page 312
5 Illustrative Examples......Page 313
5.1 First illustrative example......Page 314
5.1.1 Solution with no central storage vessel......Page 315
5.1.2 Solution with central storage......Page 316
5.2 Second illustrative example......Page 319
6 Conclusions......Page 321
Nomenclature......Page 322
References......Page 324
1 Introduction......Page 326
2 Simulated Annealing......Page 328
3 Swarm Annealing I......Page 329
4 Swarm Annealing II......Page 332
5 Algorithm Implementation and Testing......Page 333
6.1 Case 1......Page 334
6.2 Case 2......Page 338
7 Discussion of Results......Page 341
References......Page 342
1 Introduction......Page 346
2 WWTN Problem Formulation and Description......Page 349
3 Literature Overview......Page 351
4.1 Overview of the approach......Page 357
4.2 Targeting stage......Page 358
4.3 Structure development optimization stage......Page 360
4.4 Final optimization stage......Page 361
4.5 Example of application......Page 362
5.1 Superstructure and optimization model......Page 365
5.2 Overview of solution approach......Page 369
5.3 Examples of application......Page 371
Symbols......Page 376
References......Page 377
Appendix......Page 381
Section 3: Energy Conservation and Efficiency......Page 384
1 Introduction......Page 386
2 Overview of Power Generation......Page 387
2.2 Hydroelectric power plant......Page 388
2.4 Renewable sources power plants......Page 389
3.1 Power plant efficiency improvement......Page 390
3.1.1 Pulverized coal power plant (PC)......Page 392
3.1.2 Integrated gasification combined cycle (IGCC)......Page 28
4.1.1 Chemical solvent absorption......Page 393
4.1.4 Cryogenic separation......Page 395
4.1.7 Chemical looping combustion......Page 396
4.2 Sequestration......Page 397
4.2.1.3 Deep saline formations......Page 398
4.2.2 Ocean storage......Page 399
5 Optimization and Planning Models for Power Plants......Page 400
6. Superstructure Representation......Page 403
7 Mathematical Model Development......Page 406
Constraints......Page 409
8 Case Study......Page 417
9 Summary......Page 428
Nomenclature......Page 429
Abbreviations......Page 431
References......Page 432
1 Introduction......Page 434
2.1 The need for advanced process network optimisation tools......Page 435
2.2 Process representation with P-graph......Page 436
2.4 Foundation of the P-graph framework: The axioms......Page 437
2.5 Algorithms for the network manipulation and optimisation......Page 438
3.2 Efficiency of FC and combined cycles......Page 440
4.1 General synthesis procedure......Page 441
4.4 Sensitivity analysis procedure......Page 442
5.1.2 Candidate operating units......Page 443
5.2 Results and Discussion......Page 446
6 Summary......Page 453
Abbreviations......Page 454
References......Page 455
1 Introduction......Page 458
2 Problem Statement......Page 462
3 Overall Approach......Page 464
3.1 Mass integration and heat integration approach......Page 465
4 Steam Header Balance......Page 472
5 Energy Integration Approach......Page 474
6 Extractable Work Method......Page 476
6.1 Case 1: Excess process steam without external fuel......Page 479
6.2 Case 2: Excess steam with external fuel......Page 480
7 Case Study......Page 481
8 Conclusions......Page 491
References......Page 492
1 Introduction......Page 498
2.1 Refrigeration cycle with pure refrigerant......Page 500
2.2 Heat-integrated cooling and refrigeration......Page 504
2.3 Refrigeration cycle with mixed refrigerants......Page 506
2.4 Optimisation of refrigeration cycles......Page 509
2.5 Case study......Page 510
3 Driver Selection, Design and Optimisation......Page 512
4 Total Site-wide Utility Systems......Page 514
5 Summary......Page 516
References......Page 517
1 Introduction......Page 520
2 Characteristics of Streams in Batch Processes......Page 521
3 Operating Schemes of Batch Heat Integration......Page 522
4 Pinch Analysis Approach for Indirect Heat Integration......Page 524
4.1 Indirect integration with two-storage system......Page 525
4.2 Indirect integration with three-storage system......Page 532
5 Mathematic Programming Approach for Indirect Heat Integration Scheme......Page 535
5.1 Superstructure......Page 537
5.2 Formulation......Page 539
5.3 Example 2: Single product batch plant......Page 542
5.4 Heat integration with two storage tanks......Page 546
5.5 Heat integration with three storage tanks......Page 548
6 Example 3: A Brewing Process......Page 552
7 Conclusion......Page 560
Nomenclature......Page 561
References......Page 564
1 Introduction......Page 566
2 Heat Integration......Page 569
3 Total Site Targeting......Page 577
4.1 Heat pump......Page 582
4.3 Biomass......Page 583
4.4 Solar energy......Page 584
5 Locally Integrated Energy Sector Case Study......Page 585
6 Conclusions......Page 591
References......Page 592
1 Introduction......Page 596
2 Solar Thermal System Design......Page 597
3 Mathematical Model......Page 598
4 Generation of Design Space......Page 600
4.1 Establishment of design limit based on load temperature......Page 602
4.2 Establishment of design limit based on maximum temperature......Page 603
4.3 Overall design space and its significance......Page 604
5 Conclusions......Page 607
Nomenclature......Page 608
References......Page 609
1 Introduction......Page 612
2 Why Conventional Dryers Have Low Energy Efficiency......Page 613
3.1 Direct firing......Page 614
3.2 Electric heating......Page 615
3.3.1 Heat pump......Page 616
4 Case Studies......Page 617
4.1.1 Case study: Fluidized bed dryer......Page 618
4.3.1 Case study: Spray dryer......Page 619
4.4.1 Case study: Model predictive control......Page 621
5 General Guidelines for Energy Savings......Page 623
6 Conclusion......Page 624
References......Page 625
1 Introduction......Page 628
2.1 Process description of a gas/oil separation plant (GOSP)......Page 630
3 Heat Integration and Software Application in the GOSP......Page 631
4 Results and Discussion of Heat Integration Application in the GOSP......Page 633
6 Conclusions......Page 641
References......Page 642
1 Introduction......Page 644
2 Industry Response......Page 645
2.1.1 Electric supply......Page 646
2.1.2 Steam system maintenance......Page 647
2.1.3 Compressed air systems......Page 648
2.1.5 Fired heaters......Page 649
2.1.6 Process equipment......Page 650
2.2.1 Employee contests......Page 653
2.2.3 Pinch analysis......Page 654
2.2.4 Steam system rebalancing......Page 656
2.2.5 By-product synergies......Page 659
2.3 Management systems to sustain progress......Page 661
References......Page 662
1.1. Chemical State......Page 664
1.2. Dead State......Page 665
1.3. Computation of β0, γ0 and ε0......Page 667
1.4. Selection of the Datum Level Materials......Page 668
2. Procedure......Page 670
3.1. First Iteration......Page 673
3.2.1. First test......Page 674
3.2.2. Second test......Page 675
References......Page 678
1. Thermodynamic Basis......Page 680
1.1. Partial Molar Enthalpy......Page 684
1.2. Partial Molar Entropy......Page 685
1.3. Partial Molar Exergy......Page 686
3. Specific Chemical Enthalpy, Entropy and Exergy......Page 687
4. Example......Page 688
References......Page 693
1. Mass Balance......Page 696
2. Energy Balance......Page 698
3. Entropy-Dissipation Balance......Page 702
4. Available Energy Balance......Page 706
References......Page 707
1. Theoretical......Page 710
2. Specific Chemical Enthalpy, β0......Page 712
3. Specific Chemical Exergy (Availability), ε0......Page 715
4. Specific Enthalpy and Specific Exergy Relative to the Dead (or Reference) State......Page 719
Nomenclature......Page 742
References......Page 743
Appendix 5: Reaction-Network Synthesis Via the Graph-Theoretic Method Based on P-graphs: Vinyl-Chloride Synthesis Authors: L. T. Fan & Tengyan Zhang......Page 746
1. Problem Definition......Page 748
2.1. Generation of the Maximal Reaction Network with Algorithm MSG......Page 749
2.2. Generation of the Solution-Structures Corresponding to the Combinatorially Feasible Reaction Networks as the Solution-Structures with Algorithm SSG......Page 753
2.3. Identification of the Feasible Reaction Networks Among the Combinatorially Feasible Ones by Linear Programming......Page 754
References......Page 757
Appendix 6: Application of Sustainability Potential: Manufacture of Vinyl Chloride (C2H3Cl) Authors: L. T. Fan & Tengyan Zhang......Page 760
2. Assessment of Sustainability-Potential......Page 761
2.1. Available Energy or Exergy Dissipation......Page 762
2.2. Potential Profit......Page 763
2.3. Toxicity Indices......Page 765
References......Page 769
1. Definition of Solar Transformity......Page 772
2. Calculation of Energies and Transformities of Solar Insolation, Crustal Thermal energy and Tidal Energy......Page 773
3. Calculation of Transformities of Some Non-renewable Resources......Page 777
4. Energy Analysis for a Simple Example......Page 778
References......Page 779
Appendix 8: Authors: H. H. Lou, S. Dusija, X. Li, J. L. Gossage & J. R. Hopper......Page 782
1. Example 1-single water main......Page 808
2. Example 1-two water mains......Page 812
3. Example 2-regeneration water mains......Page 817
1. Introduction......Page 827
3. File with model to be solved — general remarks and guidelines......Page 828
File with solvers’ parameters......Page 830
File with results......Page 831