Applied thermodynamics of fluids:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Cambridge
RSC Publ.
2010
|
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XXIII, 509 S. Ill., graph. Darst. |
| ISBN: | 9781847558060 |
Internformat
MARC
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| 245 | 1 | 0 | |a Applied thermodynamics of fluids |c ed. by Anthony Goodwin ... |
| 264 | 1 | |a Cambridge |b RSC Publ. |c 2010 | |
| 300 | |a XXIII, 509 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
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| 700 | 1 | |a Goodwin, Anthony R. H. |e Sonstige |4 oth | |
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Datensatz im Suchindex
| _version_ | 1804143456209076224 |
|---|---|
| adam_text | Titel: Applied thermodynamics of fluids
Autor: Goodwin, Anthony R. H
Jahr: 2010
Contents
List of Contributors xix
Experimental Thermodynamics Series xxi
Acknowledgments xxiii
Chapter 1 Introduction 1
Anthony R. H. Goodwin, Jan V. Sengers and Cornells
J. Peters
References 2
Chapter 2 Fundamental Considerations 5
Angel Martin Martinez and Cor J. Peters
2.1 Introduction 5
2.2 Basic Thermodynamics 5
2.2.1 Homogeneous Functions 8
2.2.2 Thermodynamic Properties from Differentia-
tion of Fundamental Equations 9
2.3 Deviation Functions 11
2.3.1 Residual Functions 12
2.3.2 Evaluation of Residual Functions 13
2.4 Mixing and Departure Functions 13
2.4.1 Departure Functions with Temperature, Mo-
lar Volume and Composition as the Inde-
pendent Variables 14
2.4.2 Departure Functions with Temperature,
Pressure and Composition as the Independent
Variables 16
2.5 Mixing and Excess Functions 17
2.6 Partial Molar Properties 19
2.7 Fugacity and Fugacity Coefficients 20
Applied Thermodynamics of Fluids
Edited by A. R. H. Goodwin, J. V. Sengers and C. J. Peters
© International Union of Pure and Applied Chemistry 2010
Published by the Royal Society of Chemistry, www.rsc.org
x Contents
2.8 Activity Coefficients 22
2.9 The Phase Rule 24
2.10 Equilibrium Conditions 25
2.10.1 Phase Equilibria 25
2.10.2 Chemical Equilibria 27
2.11 Stability and the Critical State 28
2.11.1 Densities and Fields 28
2.11.2 Stability 28
2.11.3 Critical State 29
References 32
Chapter 3 The Virial Equation of State 33
J. P. Martin Trusler
3.1 Introduction 33
3.1.1 Temperature Dependence of the Virial
Coefficients 34
3.1.2 Composition Dependence of the Virial
Coefficients 35
3.1.3 Convergence of the Virial Series 36
3.1.4 The Pressure Series 37
3.2 Theoretical Background 38
3.2.1 Virial Coefficients of Hard-Core-Square-Well
Molecules 39
3.3 Thermodynamic Properties of Gases 40
3.3.1 Perfect-gas and Residual Properties 40
3.3.2 Helmholtz Energy and Gibbs Energy 41
3.3.3 Perfect-Gas Properties 41
3.3.4 Residual Properties 44
3.4 Estimation of Second and Third Virial Coefficients 47
3.4.1 Application of Intermolecular Potential-energy
Functions 47
3.4.2 Corresponding-states Methods 48
References 51
Chapter 4 Cubic and Generalized van der Waals Equations of State 53
Ioannis G. Economou
4.1 Introduction 53
4.2 Cubic Equation of State Formulation 54
4.2.1 The van der Waals Equation of State (1873) 54
4.2.2 The Redlich and Kwong Equation of State
(1949) 56
4.2.3 The Soave, Redlich and Kwong Equation of
State (1972) 56
4.2.4 The Peng and Robinson Equation of State (1976) 57
Contents xi
4.2.5 The Patel and Teja (PT) Equation of State
(1982) 58
4.2.6 The a Parameter 58
4.2.7 Volume Translation 59
4.2.8 The Elliott, Suresh and Donohue (ESD)
Equation of State (1990) 60
4.2.9 Higher-Order Equations of State Rooted to
the Cubic Equations of State 61
4.2.10 Extension of Cubic Equations of State to
Mixtures 62
4.3 Applications 64
4.3.1 Pure Components 64
4.3.2 Oil and Gas Industry - Hydrocarbons and
Petroleum Fractions 65
4.3.3 Chemical Industry - Polar and Hydrogen
Bonding Fluids 68
4.3.4 Polymers 74
4.3.5 Transport Properties 77
4.4 Conclusions 81
References 81
Chapter 5 Mixing and Combining Rules 84
Anthony R. H. Goodwin and Stanley I. Sandler
5.1 Introduction 84
5.2 The Virial Equation of State 85
5.3 Cubic Equations of State 87
5.3.1 Mixing Rules 88
5.3.2 Combining Rules 92
5.3.3 Non-Quadratic Mixing and Combining Rules 97
5.3.4 Mixing Rules that Combine an Equation of
State with an Activity-Coefficient Model 100
5.4 Multi-Parameter Equations of State 111
5.4.1 Benedict, Webb, and Rubin Equation of State 111
5.4.2 Generalization with the Acentric Factor 114
5.4.3 Helmholtz-Function Equations of State 118
5.5 Mixing Rules for Hard Spheres and Association 121
5.5.1 Mixing and Combining Rules for SAFT 123
5.5.2 Cubic Plus Association Equation of State 125
References 127
Chapter 6 The Corresponding-States Principle 135
James F. Ely
6.1 Introduction 135
6.2 Theoretical Considerations 139
Contents
6.3 Determination of Shape Factors 142
6.3.1 Other Reference Fluids 144
6.3.2 Exact Shape Factors 146
6.3.3 Shape Factors from Generalized Equations of
State 154
6.4 Mixtures 156
6.4.1 van der Waals One-Fluid Theory 158
6.4.2 Mixture Corresponding-States Relations 160
6.5 Applications of Corresponding-States Theory 162
6.5.1 Extended Corresponding-States for Natural
Gas Systems 164
6.5.2 Extended Lee-Kesler 165
6.5.3 Generalized Crossover Cubic Equation of
State 165
6.6 Conclusions 166
References 166
Chapter 7 Thermodynamics of Fluids at Meso and Nano Scales 172
Mikhail A. Anisimov and Christopher E. Bertrand
7.1 Introduction 172
7.2 Thermodynamic Approach to Meso-Heterogeneous
Systems 174
7.2.1 Equilibrium Fluctuations 174
7.2.2 Local Helmholtz Energy 176
7.3 Applications of Meso-Thermodynamics 179
7.3.1 Van der Waals Theory of a Smooth Interface 179
7.3.2 Polymer Chain in a Dilute Solution 182
7.3.3 Building a Nanoparticle Through Seif Assembly 184
7.3.4 Modulated Fluid Phases 187
7.4 Meso-Thermodynamics of Criticality 189
7.4.1 Critical Fluctuations 189
7.4.2 Scaling Relations 192
7.4.3 Near-Critical Interface 193
7.4.4 Divergence of Tolman s Length 195
7.5 Competition of Meso-Scales 196
7.5.1 Crossover to Tricriticality in Polymer
Solutions 196
7.5.2 Tolman s Length in Polymer Solutions 200
7.5.3 Finite-size Scaling 202
7.6 Non-Equilibrium Meso-Thermodynamics of Fluid
Phase Separation 205
7.6.1 Relaxation of Fluctuations 206
7.6.2 Critical Slowing Down 207
7.6.3 Homogeneous Nucleation 208
Contents xiii
7.6.4 Spinodal Decomposition 208
7.7 Conclusion 209
References 210
Chapter 8 SAFT Associating Fluids and Fluid Mixtures 215
Cläre McCabe and Amparo Galindo
8.1 Introduction 215
8.2 Statistical Mechanical Theories of Association and
Wertheim s Theory 216
8.3 SAFT Equations of State 222
8.3.1 SAFT-HS and SAFT-HR 224
8.3.2 Soft-SAFT 225
8.3.3 SAFT-VR 226
8.3.4 PC-SAFT 226
8.3.5 Summary 227
8.4 Extensions of the SAFT Approach 228
8.4.1 Modelling the Critical Region 228
8.4.2 Polar Fluids 234
8.4.3 Ion-Containing Fluids 240
8.4.4 Modelling Inhomogeneous Fluids 247
8.4.5 Dense Phases: Liquid Crystals and Solids 249
8.5 Parameter Estimation: Towards more Predictive
Approaches 249
8.5.1 Pure-component Parameter Estimation 249
8.5.2 Use of Quantum Mechanics in SAFT
Equations of State 251
8.5.3 Unlike Binary Intermolecular Parameters 252
8.6 SAFT Group-Contribution Approaches 253
8.6.1 Homonuclear Group-Contribution Models in
SAFT 255
8.6.2 Heteronuclear Group Contribution Models in
SAFT 256
8.7 Concluding Remarks 260
References 260
Chapter 9 Polydisperse Fluids 280
Dieter Browarzik
9.1 Introduction 280
9.2 Influence of Polydispersity on the Liquid + Liquid
Equilibrium of a Polymer Solution 281
9.3 Approaches to Polydispersity 283
9.3.1 The Pseudo-component Method 283
9.3.2 Continuous Thermodynamics 285
xiv Contents
9.4 Application to Real Systems 299
9.4.1 Polymer Systems 299
9.4.2 Petroleum Fluids, Asphaltenes, Waxes and
Other Applications 306
9.5 Conclusions 313
References 314
Chapter 10 Thermodynamic Behaviour of Fluids near Critical Points 321
Hassan Behnejad, Jan V. Sengers and Mikhail A. Anisimov
10.1 Introduction 321
10.2 General Theory of Critical Behaviour 322
10.2.1 Scaling Fields, Critical Exponents, and
Critical Amplitudes 322
10.2.2 Parametric Equation of State 325
10.3. One-Component Fluids 328
10.3.1 Simple Scaling 328
10.3.2 Revised Scaling 332
10.3.3 Complete Scaling 333
10.3.4 Vapour-Liquid Equilibrium 335
10.3.5 Symmetrie Corrections to Scaling 338
10.4 Binary Fluid Mixtures 339
10.4.1 Isomorphic Critical Behaviour of Mixtures 339
10.4.2 Incompressible Liquid Mixtures 340
10.4.3 Weakly Compressible Liquid Mixtures 344
10.4.4 Compressible Fluid Mixtures 347
10.4.5 Dilute Solutions 347
10.5 Crossover Critical Behaviour 349
10.5.1 Crossover from Ising-like to Mean-Field
Critical Behaviour 349
10.5.2 Effective Critical Exponents 351
10.5.3 Global Crossover Behaviour of Fluids 354
10.6 Discussion 359
Acknowledgements 359
References 359
Chapter 11 Phase Behaviour of Ionic Liquid Systems 368
Maaike C. Krön and Cor J. Peters
11.1 Introduction 368
11.2 Phase Behaviour of Binary Ionic Liquid Systems 369
11.2.1 Phase Behaviour of (Ionic Liquid + Gas
Mixtures) 369
11.2.2 Phase Behaviour of (Ionic Liquid + Water) 372
11.2.3 Phase Behaviour of (Ionic Liquid + Organic) 373
Contents xv
11.3 Phase Behaviour of Ternary Ionic Liquid Systems 374
11.3.1 Phase Behaviour of (Ionic Liquid + Carbon
Dioxide -I- Organic) 374
11.3.2 Phase Behaviour of (Ionic Liquid +
Aliphatic + Aromatic) 376
11.3.3 Phase Behaviour of (Ionic Liquid +
Water+ Alcohol) 377
11.3.4 Phase Behaviour of Ionic Liquid Systems
with Azeotropic Organic Mixtures 378
11.4 Modeling of the Phase Behaviour of Ionic Liquid
Systems 379
11.4.1 Molecular Simulations 379
11.4.2 Excess Gibbs-energy Methods 380
11.4.3 Equation of State Modeling 381
11.4.4 Quantum Chemical Methods 383
References 383
Chapter 12 Multi-parameter Equations of State for Pure Fluids and
Mixtures 394
Eric W. Lemmon and Roland Span
12.1 Introduction 394
12.2 The Development of a Thermodynamic Property
Formulation 395
12.3 Fitting an Equation of State to Experimental Data 397
12.3.1 Recent Nonlinear Fitting Methods 402
12.4 Pressure-Explicit Equations of State 404
12.4.1 Cubic Equations 404
12.4.2 The Benedict-Webb-Rubin Equation of State 404
12.4.3 The Bender Equation of State 405
12.4.4 The Jacobsen-Stewart Equation of State 406
12.4.5 Thermodynamic Properties from Pressure-
Explicit Equations of State 406
12.5 Fundamental Equations 408
12.5.1 The Equation of Keenan, Keyes, Hill, and
Moore 409
12.5.2 The Equations of Haar, Gallagher, and Kell 409
12.5.3 The Equation of Schmidt and Wagner 411
12.5.4 Reference Equations of Wagner 411
12.5.5 Technical Equations of Span and of Lemmon 412
12.5.6 Recent Equations of State 418
12.5.7 Thermodynamic Properties from Helmholtz
Energy Equations of State 419
12.6 Comparisons of Property Formulations 420
12.7 Recommended Multi-Parameter Equations of State 423
12.8 Equations of State for Mixtures 424
xvi Contents
12.8.1 Extended Corresponding States Methods 425
12.8.2 Mixture Properties from Helmholtz Energy
Equations of State 426
12.9 Software for Calculating Thermodynamic Properties 428
References 428
Chapter 13 Equations of State in Chemical Reacting Systems 433
Selva Pereda, Esteban Brignole and Susana Bottini
13.1 Introduction 433
13.2 The Chemical Equilibrium Problem 434
13.3 Reactions under Near-Critical Conditions 436
13.4 Modelling Reacting Systems with Group
Contribution Equations of State 439
13.4.1 Group Contribution with Association
Equation of State (GCA-EoS) 440
13.5 Phase Equilibrium Engineering of Supercritical
Gas-Liquid Reactors 446
13.5.1 Solvent Selection 446
13.5.2 Boundaries of Feasible Operating
Regions 450
13.6 Concluding Remarks 454
References 455
Chapter 14 Applied Non-Equilibrium Thermodynamics 460
Signe Kjelstrup and Dick Bedeaux
14.1 Introduction 460
14.1.1 A Systematic Thermodynamic Theory for
Transport 461
14.1.2 On the Validity of the Assumption of Local
Equilibrium 464
14.1.3 Concluding remarks 465
14.2 Fluxes and Forces from the Second Law of
Thermodynamics 466
14.2.1 Continuous phases 467
14.2.2 Maxwell-Stefan Equations 472
14.2.3 Discontinuous Systems 474
14.2.4 Concluding Remarks 481
14.3 Chemical Reactions 481
14.3.1 Thermal Diffusion in a Reacting System 481
14.3.2 Mesoscopic Description Along the
Reaction Coordinate 484
14.3.3 Heterogeneous Catalysis 486
14.3.4 Concluding Remarks 487
Contents xvii
14.4 The Path of Energy-Efficient Operation 488
14.4.1 An Optimisation Procedure 488
14.4.2 Optimal Heat Exchange 489
14.4.3 The Highway Hypothesis for a Chemical
Reactor 491
14.4.4 Energy-Efficient Production of Hydrogen
Gas 493
14.4 Conclusions 494
References 496
Subject Index 499
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| indexdate | 2024-07-09T22:47:57Z |
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| isbn | 9781847558060 |
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| physical | XXIII, 509 S. Ill., graph. Darst. |
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| spelling | Applied thermodynamics of fluids ed. by Anthony Goodwin ... Cambridge RSC Publ. 2010 XXIII, 509 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Fluids / Thermal properties Flüssiger Zustand (DE-588)4336025-7 gnd rswk-swf Thermodynamik (DE-588)4059827-5 gnd rswk-swf Flüssiger Zustand (DE-588)4336025-7 s Thermodynamik (DE-588)4059827-5 s DE-604 Goodwin, Anthony R. H. Sonstige oth HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020697514&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Applied thermodynamics of fluids Fluids / Thermal properties Flüssiger Zustand (DE-588)4336025-7 gnd Thermodynamik (DE-588)4059827-5 gnd |
| subject_GND | (DE-588)4336025-7 (DE-588)4059827-5 |
| title | Applied thermodynamics of fluids |
| title_auth | Applied thermodynamics of fluids |
| title_exact_search | Applied thermodynamics of fluids |
| title_full | Applied thermodynamics of fluids ed. by Anthony Goodwin ... |
| title_fullStr | Applied thermodynamics of fluids ed. by Anthony Goodwin ... |
| title_full_unstemmed | Applied thermodynamics of fluids ed. by Anthony Goodwin ... |
| title_short | Applied thermodynamics of fluids |
| title_sort | applied thermodynamics of fluids |
| topic | Fluids / Thermal properties Flüssiger Zustand (DE-588)4336025-7 gnd Thermodynamik (DE-588)4059827-5 gnd |
| topic_facet | Fluids / Thermal properties Flüssiger Zustand Thermodynamik |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020697514&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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