Computer aided chemical thermodynamics of gases and liquids : theory, models, and programs

著者

書誌事項

Computer aided chemical thermodynamics of gases and liquids : theory, models, and programs

Paul Benedek and Francis Olti

（A Wiley-Interscience publication）

Wiley, c1985

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注記

Includes index

内容説明・目次

内容説明

This book deals with the theory of thermodynamics while making use of structural models for both pure substances and mixtures together with an algorithm to calculate meaningful thermodynamic properties. Although there are many excellent texts dealing with the subject, our rapidly changing world demands and offers, at the same time, new ways and approaches to the treatment and use of this branch of applied thermodynamics. The wide proliferation of personal computers in the "post-slide-rule" era permits easy access to computers having sufficient capacity to handle most calculations required in chemical thermodynamics. The goal of this book is to exploit this opportunity and to provide an easy- to-follow guide to the calculation of physiochemical properties related to energy, entropy and equilibria. Yet the book goes much deeper than merely giving a tool for such calculations needed in chemical engineering practice. Beginning with the basic concepts of physics it develops the fundamental framework of thermodynamics. Upon introducing elementary quantum chemistry and statistical thermodynamics the authors provide a definite treatment of chemical thermodynamics in a lucid and well-organized fashion. Thus the book is a self-contained treatise on chemical thermodynamics profusely supplemented with computer programs. On that account the programs serve as aids for applying the theory to particular situations and studying the effect of changes in composition, temperature and pressure.

目次

  • Algorithms and Programs
  • List of Symbols
  • Introduction
  • Classical Mechanics, Quantum Mechanics
  • Pressure and Temperature
  • Equations of State
  • Conservation Principles
  • Equilibrium
  • Thermodynamic Potential Functions
  • Elements of Statistical Thermodynamics
  • The Enthalpy
  • Calculation of the Thermodynamic Properties of a One-Component Homogeneous Phase
  • Phase Equilibrium in One-Component Systems
  • Mixtures
  • Vapor- Liquid Equilibria
  • Equilibrium of Chemical Reactions Stoichiometry
  • Appendix: Data File
  • Substance Index for Appendix
  • Index.

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