Atnaujinkite slapukų nuostatas

Phase Diagrams and Thermodynamic Modeling of Solutions [Kietas viršelis]

(Department of Chemical Engineering, Centre de Recherche en Calcul Thermochimique, Ecole Polytechnique de Montréal, Quebec, Canada)
  • Formatas: Hardback, 401 pages, aukštis x plotis: 235x191 mm, weight: 1060 g, 50 illustrations (20 in full color); Illustrations, unspecified
  • Išleidimo metai: 26-Sep-2018
  • Leidėjas: Elsevier Science Publishing Co Inc
  • ISBN-10: 0128014946
  • ISBN-13: 9780128014943
Kitos knygos pagal šią temą:
Phase Diagrams and Thermodynamic Modeling of SolutionsDidesnis paveikslėlis
  • Formatas: Hardback, 401 pages, aukštis x plotis: 235x191 mm, weight: 1060 g, 50 illustrations (20 in full color); Illustrations, unspecified
  • Išleidimo metai: 26-Sep-2018
  • Leidėjas: Elsevier Science Publishing Co Inc
  • ISBN-10: 0128014946
  • ISBN-13: 9780128014943
Kitos knygos pagal šią temą:
Pastovi nuoroda: https://www.kriso.lt/db/9780128014943.html
Raktažodžiai:

Phase Diagrams and Thermodynamic Modeling of Solutions provides readers with an understanding of thermodynamics and phase equilibria that is required to make full and efficient use of these tools. The book systematically discusses phase diagrams of all types, the thermodynamics behind them, their calculations from thermodynamic databases, and the structural models of solutions used in the development of these databases. Featuring examples from a wide range of systems including metals, salts, ceramics, refractories, and concentrated aqueous solutions, Phase Diagrams and Thermodynamic Modeling of Solutions is a vital resource for researchers and developers in materials science, metallurgy, combustion and energy, corrosion engineering, environmental engineering, geology, glass technology, nuclear engineering, and other fields of inorganic chemical and materials science and engineering. Additionally, experts involved in developing thermodynamic databases will find a comprehensive reference text of current solution models.

  • Presents a rigorous and complete development of thermodynamics for readers who already have a basic understanding of chemical thermodynamics
  • Provides an in-depth understanding of phase equilibria
  • Includes information that can be used as a text for graduate courses on thermodynamics and phase diagrams, or on solution modeling
  • Covers several types of phase diagrams (paraequilibrium, solidus projections, first-melting projections, Scheil diagrams, enthalpy diagrams), and more
Acknowledgments xv
Introduction xvii
Part I: Phase Diagrams And Thermodynamics
Chapter 1 Introduction
3(6)
References
8(1)
List of Websites
8(1)
Chapter 2 Thermodynamics Fundamentals
9(24)
2.1 The First and Second Laws of Thermodynamics
10(3)
2.2 Enthalpy
13(3)
2.3 Gibbs Energy
16(2)
2.4 Equilibrium and Chemical Reactions
18(7)
2.5 Measuring Gibbs Energy, Enthalpy and Entropy
25(2)
2.6 Gibbs Energy of a Pure Compound as a Function of Temperature
27(1)
2.7 Auxiliary Functions
28(1)
2.8 The Chemical Potential
29(1)
2.9 Some Other Useful Thermodynamic Equations
30(1)
Reference
31(1)
List Of Websites
31(2)
Chapter 3 The Gibbs Phase Rule
33(8)
3.1 The Phase Rule and Binary Temperature-Composition Phase Diagrams
35(3)
3.2 Other Examples of Applications of the Phase Rule
38(2)
Reference
40(1)
Chapter 4 Fundamentals of the Thermodynamics of Solutions
41(12)
4.1 Gibbs Energy of Mixing
41(2)
4.2 Tangent Construction
43(1)
4.3 Partial Molar Properties
43(1)
4.4 Relative Partial Molar Properties
44(2)
4.5 Activity
46(1)
4.6 Ideal Raoultian Solutions
46(2)
4.7 Excess Properties
48(1)
4.8 Activity Coefficients
49(1)
4.9 Regular Solution Theory
50(2)
4.10 Multicomponent Solutions
52(1)
References
52(1)
List Of Websites
52(1)
Chapter 5 Thermodynamic Origin of Phase Diagrams
53(32)
5.1 Temperature-Composition Phase Diagrams in Systems with Complete Solid and Liquid Miscibility
53(5)
5.2 Binary Pressure-Composition Phase Diagrams
58(1)
5.3 Minima and Maxima in Two-Phase Regions
59(2)
5.4 Miscibility Gaps
61(2)
5.5 Simple Eutectic Systems
63(2)
5.6 Thermodynamic Origin of Simple Binary Phase Diagrams Illustrated by Regular Solution Theory
65(2)
5.7 Immiscibility-Montectics
67(3)
5.8 Intermediate Phases
70(3)
5.9 Limited Mutual Solubility-Ideal Henrian Solutions
73(3)
5.10 Henry's Law, Raoult's Law and Standard States
76(2)
5.11 Single Ion Activities
78(1)
5.12 The "Activity" of a Solution
79(1)
5.13 Geometry of Binary Temperature-Composition Phase Diagrams
80(3)
5.14 Effects of Grain Size, Coherency, and Strain Energy
83(1)
References
84(1)
List Of Websites
84(1)
Chapter 6 Ternary Temperature-Composition Phase Diagrams
85(18)
6.1 The Ternary Composition Triangle
85(1)
6.2 Ternary Space Model
86(2)
6.3 Polythermal Projections of Liquidus Surfaces
88(3)
6.4 Ternary Isothermal Sections
91(4)
6.5 Ternary Isopleths (Constant Composition Sections)
95(2)
6.6 First-Melting (Solidus) Projections of Ternary Systems
97(2)
6.7 Phase Diagram Projections in Quaternary and Higher-Order Systems
99(3)
References
102(1)
List Of Websites
102(1)
Chapter 7 General Phase Diagram Sections
103(30)
7.1 Corresponding Potentials and Extensive Variables
104(1)
7.2 The Law of Adjoining Phase Regions
105(2)
7.3 Nodes in Phase Diagram Sections
107(1)
7.4 Zero Phase Fraction Lines
108(2)
7.5 Choice of Variables to Ensure That Phase Diagram Sections are Single-Valued
110(4)
7.6 Corresponding Phase Diagrams
114(4)
7.7 The Thermodynamics of General Phase Diagram Sections
118(4)
7.8 Interpreting Phase Diagrams of Oxide Systems and Other Systems Involving Two or More Oxidation States of a Metal
122(5)
7.9 Choice of Components and Choice of Variables
127(1)
7.10 Phase Diagrams of Reciprocal Systems
128(1)
7.11 Choice of Variables to Ensure Straight Tie-Lines
129(1)
7.12 Other Sets of Corresponding Variable Pairs
130(1)
7.13 Extension Rules for Polythermal Liquidus Projections
131(1)
7.14 Phase Fraction Lines
131(1)
References
131(1)
List Of Websites
131(2)
Chapter 8 Equilibrium and Scheil-Gulliver Solidification
133(16)
8.1 Equilibrium Solidification
133(1)
8.2 General Nomenclature for Invariant and Other Reactions
134(1)
8.3 Quasi-Invariant Reactions
135(1)
8.4 Nonequilibrium Scheil-Gulliver Solidification
136(1)
8.5 Scheil-Gulliver Constituent Diagrams
137(11)
References
148(1)
List Of Websites
148(1)
Chapter 9 Paraequilibrium Phase Diagrams and Minimum Gibbs Energy Diagrams
149(10)
9.1 The Geometry of Paraequilibrium Phase Diagram Sections
150(5)
9.2 Minimum Gibbs Energy Phase Diagrams
155(3)
References
158(1)
Chapter 10 Second-Order and Higher-Order Transitions
159(6)
10.1 Equations for Thermodynamic Properties due to Magnetic Ordering
163(1)
References
164(1)
List Of Websites
164(1)
Chapter 11 Phase Diagrams of Systems With an Aqueous Phase
165(18)
11.1 Evaporation Paths
165(2)
11.2 Eh-pH Diagrams
167(5)
11.3 True Aqueous Phase Diagrams
172(10)
References
182(1)
List Of Websites
182(1)
Chapter 12 Bibliography on Phase Diagrams
183(6)
12.1 Phase Diagram Compilations
183(1)
12.2 Further Reading
184(1)
References
184(1)
List Of Websites
185(4)
Part II: Thermodynamic Modeling Of Solutions
Chapter 13 Introduction
189(4)
List Of Websites
191(2)
Chapter 14 Single-Lattice Random-Mixing (Bragg-Williams-BW) Models
193(36)
14.1 Ideal Raoultian Solutions
194(1)
14.2 Regular Solution Theory: Binary Systems
195(1)
14.3 Polynomial Expansion of the Excess Gibbs Energy: Binary Systems
196(4)
14.4 Solutions With Two or More Sublattices But With Only One Sublattice of Variable Composition
200(1)
14.5 Solutions With Limited Solubility: Lattice Stabilities
201(1)
14.6 Darken's Quadratic Formalism
202(1)
14.7 Introduction to Coupled Thermodynamic/Phase Diagram Optimization: Binary Systems
203(4)
14.8 Multicomponent Systems
207(12)
14.9 Liquid Solutions: Coordination Equivalent Fractions
219(3)
14.10 Wagner's Interaction Parameter Formalism and the Unified Interaction Parameter Formalism
222(4)
14.11 Thermal Vacancies
226(1)
References
226(3)
Chapter 15 Multiple-Sublattice Random-Mixing (Bragg-Williams-BW) Models
229(24)
15.1 Case of a Two-Sublattice (A,B)(X,Y) Solution
231(8)
15.2 Activities of the End-Members
239(1)
15.3 The Compound Energy Formalism (CEF)
240(9)
15.4 Asymmetric Molten Ionic Solutions: Temkin Model
249(3)
References
252(1)
List Of Websites
252(1)
Chapter 16 Single-Lattice Models With Short-Range Ordering (SRO)
253(42)
16.1 Associate Models
257(3)
16.2 The Modified Quasichemical Model (MQM)
260(12)
16.3 Second-Nearest-Neighbor Short-Range Ordering in Ionic Liquids
272(2)
16.4 Short-Range Ordering and Positive Deviations From Ideal Mixing
274(3)
16.5 Approximating Short-Range Ordering with a Polynomial Expansion
277(1)
16.6 Modified Quasichemical Model-Multicomponent Systems
278(8)
16.7 The MQM Equations in Closed Explicit Form
286(1)
16.8 Combining Bragg-Williams and MQM Models in One Multicomponent Database
287(1)
16.9 Comparison of the Bragg-Williams, Associated and Modified Quasichemical Models in Predicting Ternary Properties From Binary Properties
288(4)
16.10 The Two-Sublattice "Ionic Liquid" Model
292(1)
References
293(1)
List Of Websites
294(1)
Chapter 17 Modeling Short-Range Ordering With Two Sublattices
295(24)
17.1 Introduction
295(1)
17.2 Definitions, Coordination Numbers
296(4)
17.3 Formal Treatment of Quadruplets as "Complexes" or "Molecules"
300(3)
17.4 Gibbs Energy Equation
303(2)
17.5 The Configurational Entropy
305(3)
17.6 Second-Nearest-Neighbor Interaction Terms
308(6)
17.7 Summary of Model
314(3)
17.8 Sample Calculations
317(1)
References
318(1)
Chapter 18 Some Applications
319(32)
18.1 Molten Oxide Solutions
319(14)
18.2 Order-Disorder Transitions
333(8)
18.3 Liquid Solutions With More Than One Composition of Short-Range Ordering
341(1)
18.4 Deoxidation Equilibria in Steel
342(4)
18.5 Magnetic Contributions to the Thermodynamic Properties of Solutions
346(1)
18.6 Limiting Liquidus Slope in Dilute Solutions
346(3)
References
349(1)
List Of Websites
350(1)
Exercises
Chapter 19 Exercises With Solutions
351(26)
19.1 Exercises
351(12)
19.2 Solutions to Exercises
363(14)
Index 377
Arthur D. Pelton is Professor Emeritus in the Department of Chemical Engineering and co-director of the Center for Computational Thermochemistry at the Ecole Polytechnique in Montreal, Quebec, Canada.Dr. Pelton received his undergraduate and graduate degrees from the Dept. of Metallurgy and Materials Science at the University of Toronto (PhD in 1970). Following post-doctoral studies at the Technical University in Clausthal, Germany and at MIT, he joined the faculty of the Ecole Polytechnique in the Dept. of Materials Engineering in 1973. Dr. Pelton has co-authored over 250 technical papers and 16 book chapters, including the chapter on Phase Diagrams in Physical Metallurgy 3rd and 4th editions” (Elsevier), and on Thermodynamics and Phase Diagrams in the 5th edition. He is a Fellow of the Royal Society of Canada, the Canadian Academy of Engineering and the American Society for Materials. He is a recipient of the AIME Extraction & Processing Distinguished Lecturer Award, the Gibbs Triangle Award of the international Calphad (Calculation of Phase Diagrams) group, the J. Willard Gibbs Phase Equilibria Award of ASM and the Hume-Rothery Prize (for contributions to the study of phase equilibria) of the Institute of Materials (UK) as well as other national and international awards. His primary field of interest is chemical thermodynamics. He is co-founder of the FactSage thermodynamic database computing system which has approximately 900 users in 45 countries.