Theoretical Chemistry - 1st Edition - ISBN: 9780126819052, 9781483220413

Theoretical Chemistry

1st Edition

Advances and Perspectives

Editors: Henry Eyring Douglas Henderson
eBook ISBN: 9781483220413
Imprint: Academic Press
Published Date: 1st January 1980
Page Count: 282
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Theoretical Chemistry: Advances and Perspectives, Volume 5 covers articles concerning all aspects of theoretical chemistry. The book discusses the mean spherical approximation for simple electrolyte solutions; the representation of lattice sums as Mellin-transformed products of theta functions; and the evaluation of two-dimensional lattice sums by number theoretic means. The text also describes an application of contour integration; a lattice model of quantum fluid; as well as the computational aspects of chemical equilibrium in complex systems. Chemists and physicists will find the book useful.

Table of Contents

List of Contributors


Contents of Previous Volumes

Primitive Electrolytes in the Mean Spherical Approximation

I. Introduction

II. Historical Background

III. The Correlation Functions

IV. Sum Rules and Bounds

V. Cluster Expansions

VI. The Optimized Cluster Expansion

VII. The Mean Spherical Approximation

VIII. Discussion and Perspectives

Appendix A: The Relation between the Hypernetted Chain Approximation and the Poisson-Boltzmann Equation

Appendix B: Solution of the MSA for Different Diameters

Appendix C: The Poles of Eq. (7.83)


Lattice Sums

I. Introduction

II. Historical Survey

III. The ^-Function Method in the Analysis of Lattice Sums

IV. Number Theoretic Approaches to Lattice Sums

V. Contour Integral Technique

VI. Conclusion

Appendix A

Appendix B


A Lattice Model of a Quantum Fluid

I. Introduction

II. A Cell Model for Fluids

III. Conventional Phase Transitions, the Critical Region, and Homogeneity

IV. Fluid-Magnet Analogy and Universality

V. Exact Series Expansions

VI. The Renormalization Group

VII. Two-Dimensional Systems: The Planar Model

VIII. Discussion and Summary


Computational Aspects of Chemical Equilibrium in Complex Systems

I. Introduction

II. Problem Formulation and Mathematical Properties

III. Chemical Equilibrium Algorithms for Ideal Systems

IV. Chemical Equilibrium Algorithms for Real Systems

V. The Effects of Problem Parameter Changes (Sensitivity Analysis) 236

VI. Miscellaneous Topics

VII. Summary and Conclusions


Subject Index


No. of pages:
© Academic Press 1980
Academic Press
eBook ISBN:

About the Editor

Henry Eyring

Douglas Henderson

Affiliations and Expertise

Director of Electron Microscopy, Department of Histopathology, Flinders Medical Centre, Adelaide, South Australia

Ratings and Reviews