Process Plant Simulation

Front Matter......Page 1
Dedication......Page 0
Preface......Page 3
Table of Contents......Page 6
1. Introduction......Page 12
1.1 Process Synthesis......Page 14
1.2 Process Analysis......Page 16
1.3 Optimization......Page 19
1.5 Organization of the Text......Page 21
Exercises......Page 23
Part I. Modelling......Page 24
2.1.1 Deterministic Process......Page 25
2.2 Physical Modelling......Page 26
2.3 Mathematical Modelling......Page 27
2.4 Chemical Systems Modelling......Page 30
2.4.1 Model Formulation Principles......Page 31
2.4.2 Fundamental Laws Used in Modelling......Page 32
2.4.2.1 Continuity Equations......Page 33
2.4.2.3 Equation of Motion......Page 34
2.4.2.5 Equations of State......Page 35
2.4.2.6 Equilibrium Relations......Page 37
2.4.2.7 Chemical Kinetics......Page 39
2.6 Controlled System......Page 41
2.7.2 Kinematic Similarity......Page 42
2.7.3 Dynamic Similarity......Page 43
Exercises......Page 48
3.1 Independent and Dependent Variables, and Parameters......Page 49
3.3.1 Static Model......Page 52
3.3.2 Dynamic Model......Page 53
3.3.3 The Complete Mathematical Model......Page 54
3.4.3 Comparison between Rigid and Stochastic Models......Page 55
3.6 The Black Box Principle......Page 56
3.7 Artificial Neural Networks......Page 57
3.7.1 Network Training......Page 58
3.7.3 Network Architecture......Page 59
3.7.4 Back-Propagation Algorithm......Page 60
3.7.6 Example Problems......Page 61
3.7.6.2 Neural Network Model......Page 65
3.7.6.4 Design and Training of the ANN......Page 66
Exercises......Page 67
Part II. Chemical System Modelling......Page 68
4.1 Steady-State Single-Stage Solvent Extraction......Page 69
4.2 Steady-State Two-Stage Solvent Extraction......Page 73
4.3 Steady-State Two-Stage Cross-Current Solvent Extraction......Page 77
4.4 Unsteady-State Single-Stage Solvent Extraction......Page 81
4.5 Unsteady-State Mass Balance in a Stirred Tank......Page 87
4.6 Unsteady-State Mass Balance in a Mixing Tank......Page 90
4.7 Unsteady-State Mass Transfer (Fick's Second Law of Diffusion)......Page 93
4.8 Steady-State N-Stage Counter-Current Solvent Extraction......Page 98
4.9 Multistage Gas Absorption (Kremser-Brown Equation)......Page 102
4.10 Multistage Distillation......Page 106
Exercises......Page 111
5. Models in Heat-Transfer Operations......Page 115
5.1 Steady-State Heat Conduction through a Hollow Cylindrical Pipe (Static Distributed Parameter Rigid Analytical Model)......Page 116
5.2 Unsteady-State Steam Heating of a Liquid (Dynamic Lumped Parameter Rigid Analytical Model)......Page 123
5.3 Unsteady-State Heat Loss through a Maturing Tank (Dynamic Lumped Parameter Rigid Analytical Model)......Page 125
5.4 Counter-Current Cooling of Tanks......Page 132
5.5 Heat Transfer through Extended Surfaces (Spine Fin)......Page 137
5.6 Temperature Distribution in a Transverse Cooling Fin of Triangular Cross Section......Page 143
5.7 Unsteady-State Heat Transfer in a Tubular Gas Preheater......Page 146
5.8 Heat Loss through Pipe Flanges......Page 147
5.9 Heat Transfer in a Thermometer System......Page 149
5.10 Unsteady-State Heat Transfer by Conduction......Page 153
Exercises......Page 156
6.1 The Continuity Equation......Page 160
6.2 Flow through a Packed Bed Column......Page 163
6.3 Laminar Flow in a Narrow Slit......Page 164
6.4 Flow of a Film on the Outside of a Circular Tube......Page 168
6.5 Choice of Coordinate Systems for the Falling Film Problem......Page 170
6.6 Annular Flow with Inner Cylinder Moving Axially......Page 172
6.7 Flow between Coaxial Cylinders and Concentric Spheres......Page 174
6.8 Creeping Flow between Two Concentric Spheres......Page 177
6.9 Parallel-Disc Viscometer......Page 180
6.10 Momentum Fluxes for Creeping Flow into a Slot......Page 182
Exercises......Page 186
7.1 Chemical Reaction with Diffusion in a Tubular Reactor......Page 189
7.2 Chemical Reaction with Heat Transfer in a Packed Bed Reactor......Page 193
7.3 Gas Absorption Accompanied by Chemical Reaction......Page 199
7.4 Reactors in Series - I......Page 200
7.5 Reactors in Series - II......Page 204
Exercises......Page 207
Part III. Treatment of Experimental Results......Page 209
8.1.1 Propagation through Addition......Page 210
8.2 Sources of Errors......Page 211
8.3.1 Theoretical Properties......Page 212
8.3.2 Data-Regression Methods......Page 213
8.3.2.1 Graphical Methods......Page 214
8.3.2.2 Analytical Methods......Page 215
8.3.3 Problems on Data Regression......Page 218
Exercises......Page 223
Part IV. Optimization......Page 226
9.1 Limitations of Optimization......Page 227
9.2 Applications of Optimization......Page 228
9.3.2 Dynamic Optimization......Page 230
9.4 Methods of Optimization......Page 231
9.4.1.2 Problems Involving Three Variables (Two Independent Variables)......Page 232
9.4.2 Optimization with Constraints (Lagrangian Multipliers)......Page 233
9.4.3 Gradient Methods of Optimization......Page 237
9.4.3.2 The Method of Steepest Descent (Ascent)......Page 239
9.4.3.4 Method of Steepest Descent (Ascent) with Constraints......Page 242
9.4.3.5 Problems on Method of Steepest Descent......Page 243
9.4.3.6 The Sequential Simplex Method......Page 247
9.4.5.1 Golden Section Search......Page 258
9.4.5.3 Quasi-Newton Methods......Page 259
9.4.5.5 Linear Programming......Page 260
Exercises......Page 261
10. Non-Traditional Optimization Techniques......Page 263
10.1.2 Procedure......Page 264
10.1.3 Algorithm......Page 265
10.2.2 Definition......Page 266
10.2.4.1 Coding......Page 267
10.2.5.1 Reproduction......Page 268
10.2.5.2 Crossover......Page 269
10.2.5.3 Mutation......Page 270
10.2.7.1 Process Design and Optimization (Androulakis & Venkatasubramanian 1991)......Page 271
10.2.7.3 Heat-Transfer Parameters in Trickle Bed Reactors (Babu & Vivek 1999)......Page 272
10.2.8 Stepwise Procedure for GA Implementation......Page 273
10.3.1 Introduction......Page 278
10.3.4 Steps Performed in DE......Page 279
10.3.6 Strategies in DE......Page 281
10.3.8 Applications of DE......Page 282
10.3.8.2 Fuzzy-Decision-Making Problems of Fuel Ethanol Production (Wang et al. 1998)......Page 283
10.3.8.5 Optimal Design of Heat Exchangers (Babu & Munawar 2000)......Page 284
10.3.8.7 Optimization of an Alkylation Reaction (Babu & Chaturvedi 2001)......Page 285
10.3.8.8 Optimization of Non-Linear Functions (Babu & Angira 2001)......Page 286
10.3.8.11 Scenario-Integrated Optimization of Dynamic Systems (Babu & Gautam 2001)......Page 287
10.3.8.14 Global Optimization of Non-Linear Chemical Engineering Processes (Babu & Angira 2002b; Angira & Babu 2003)......Page 288
10.3.9 Stepwise Procedure for DE Implementation......Page 289
10.4.1 Evolution Strategies......Page 292
10.4.3 Genetic Programming......Page 293
10.4.4 Other Population-Based Search Algorithms......Page 294
Exercises......Page 296
Part V. Simulation......Page 299
11.1.1 Analysis versus Design Mode......Page 300
11.1.1.1 Sequential Modular Approach......Page 302
11.1.1.2 Simultaneous Modular Approach......Page 304
11.2 The Equation-Solving Approach......Page 305
11.2.1 Precedence - Ordering of Equation Sets......Page 306
11.2.1.1 Path Tracing Method......Page 308
11.2.4 The SWS Algorithm......Page 310
11.2.5 Maintaining Sparsity......Page 312
11.2.5.1 Sparse Systems......Page 313
11.2.5.2 BTF, BBTF, and BTS......Page 314
Exercises......Page 316
12.1 Tearing Algorithms......Page 318
12.2 Algorithms Based on the Signal Flow Graph......Page 319
12.2.1 The Barkley and Motard Algorithm......Page 320
12.2.2 The Basic Tearing Algorithm......Page 324
12.3.1 Kehat and Shacham Algorithm......Page 326
12.3.2.1 The M&H-l Algorithm......Page 328
12.3.2.2 The M&H-2 Algorithm......Page 332
12.3.3 Comparison of Various Tearing Algorithms......Page 336
Exercises......Page 337
13.1 Convergence Promotion......Page 342
13.1.1 Newton's Method......Page 343
13.1.2 Direct Substitution......Page 344
13.1.3 Wegstein's Method......Page 346
13.1.5 General Dominant Eigenvalue Method......Page 351
13.1.6 Quasi-Newton Methods......Page 352
13.1.7 Criterion for Acceleration......Page 353
13.2.1 Sources......Page 354
13.2.2 Databanks......Page 355
13.2.3 Modularity and Routing......Page 357
Exercises......Page 358
14.1.1 Ammonia Synthesis Reactor......Page 360
14.1.2.2 Objective Function......Page 362
14.1.2.3 Constraints......Page 363
14.1.3.1 Temperature and Flow Rate Profiles......Page 366
14.1.3.2 Comparison of Results......Page 368
14.1.4.2 Effect of DE Key Parameters......Page 370
14.1.5 Conclusions......Page 375
14.2.1 Thermal Cracking......Page 376
14.2.2 Problem Description......Page 377
14.2.3 Problem Reformulation......Page 379
14.2.4 Simulated Results and Discussion......Page 380
14.2.5 Conclusions......Page 381
14.3.1.1 Generalized Design Procedure......Page 382
14.3.2 Problem Formulation......Page 383
14.3.3 Results and Discussion......Page 385
14.3.4 Conclusions......Page 400
14.4.1 Stepwise Procedure......Page 401
14.4.2.1 Chemical Kinetics Model......Page 418
14.4.2.2 Heat-Transfer Model......Page 419
14.4.3 Method of Solution and Simulation......Page 420
14.4.4.1 Non-Isothermal Conditions (Babu & Chaurasia 2003a)......Page 421
14.4.4.2 Isothermal Conditions (Babu & Chaurasia 2003a)......Page 426
14.4.4.3 Experimental Validation and Comparison (Babu & Chaurasia 2003b)......Page 428
14.4.4.4 Convective Heat-Transfer Coefficient (Babu & Chaurasia 2003b)......Page 431
14.4.5 Conclusions......Page 434
15.1 HYSIS - A Professional Software Package......Page 437
15.1.2.2 HYSYS.Plant......Page 438
15.1.3 Intuitive and Interactive Process Modelling......Page 439
15.1.5 Stepwise Methodology of HYSYS Usage for Problems......Page 440
15.2 FLUENT - A Software Package for Computational Fluid Dynamics......Page 484
15.2.1 Structure of the Program......Page 485
15.2.2 Capabilities of FLUENT......Page 486
15.2.3 Using FLUENT - An Overview......Page 487
15.2.4 Physical Models in FLUENT......Page 488
15.2.5 Stepwise Methodology of FLUENT Usage for a Problem......Page 489
References......Page 500
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E......Page 519
F......Page 521
G......Page 523
H......Page 524
L......Page 527
M......Page 528
N......Page 530
O......Page 531
P......Page 533
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T......Page 537
Z......Page 539