The Computation of Chemical Equilibria

This book examines the equilibrium calculations in high temperature, high pressure processes, in rocketry and in explosives technology.

F. van Zeggeren (Author), S. H. Storey (Author)

9780521172257, Cambridge University Press

Paperback, published 17 February 2011

190 pages
21.6 x 14 x 1.1 cm, 0.25 kg

This book was first published in 1970. It addresses the increasing use of digital computers for equilibrium calculations in high temperature, high pressure processes, in rocketry and in explosives technology. It surveys the numerical techniques developed over the fifteen to twenty years preceding its publication. The authors derive the equations describing equilibria in different types of system and outline the effect of variation of the parameters of the system on the equilibrium composition. They discuss critically the available methods of solution of the chemical equilibrium problem, both in the minimization and non-linear equations form, and indicate the factors that should be taken into account in selecting the optimum method of solution for a particular problem and computer. The fundamental chemical and thermodynamic analytic material was selected so as to make the book fully accessible for students of chemical engineering, explosives and technology.

Foreword
Preface
1. The foundations of chemical equilibrium computation
2. Mathematical structure of the chemical equilibrium problem
3. Methods based on optimization techniques
4. Methods based on the solution of non-linear equations
5. General considerations and conclusions
Appendices
Bibliography
Indices.

Subject Areas: Chemistry [PN]