The Chemical Equilibrium of Gaseous Systems / Edition 1

The Chemical Equilibrium of Gaseous Systems / Edition 1

by R. Holub, P. Vonka
     
 

ISBN-10: 9027705569

ISBN-13: 9789027705563

Pub. Date: 12/31/1975

Publisher: Springer Netherlands

Product Details

ISBN-13:
9789027705563
Publisher:
Springer Netherlands
Publication date:
12/31/1975
Edition description:
1976
Pages:
279
Product dimensions:
6.14(w) x 9.21(h) x 0.03(d)

Table of Contents

List of contents.- 1 Introduction.- 2 Stoichiometry of Chemical Reactions.- 2.1 Definition of a chemical reaction.- 2.2 Determination of the number of linearly independent reactions.- 2.3 Calculation of the matrix of stoichiometric coefficients.- 2.4 Expression of the mass balance.- 3 Chemical Equilibrium of a System.- 3.1 General considerations.- 3.2 The equilibrium constant and—G° of a reaction.- 3.3 Selection of the standard state.- 3.4 Dependence of the equilibrium constant on variables of state.- 3.4.1 Dependence on temperature.- 3.4.2 Dependence on pressure.- 3.5 Dependence of the equilibrium constant on the absolute magnitude of the stoichiometric coefficients.- 3.6 Properties of the free enthalpy of a system.- 3.7 Procedure of calculating a chemical equilibrium.- 4 Chemical Equilibrium of Simple Systems in the Ideal Gas State.- 4.1 Reaction coordinate.- 4.2 Calculation of simple equilibria.- 4.3 Dependence of the degree of conversion on individual reaction conditions.- 4.3.1 Dependence of the degree of conversion on temperature.- 4.3.2 Dependence of the degree of conversion on pressure.- 4.3.3 Dependence of the degree of conversion on the composition of the initial mixture.- 4.3.4 Dependence of the degree of conversion on inert constituents.- 4.4 Dependence of the equilibrium composition on individual reaction variables in the case of more complicated systems.- 4.4.1 Temperature dependence.- 4.4.2 Pressure dependence.- 4.4.3 Dependence on the composition of the initial mixture.- 4.4.4 Dependence on the amount of inert constituents.- 5 Chemical Equilibrium of Complex System in the Ideal Gas State.- 5.1 Introduction.- 5.2 Single-purpose procedures.- 5.3 General methods requiring stoichiometric analysis of the system.- 5.3.1 Principle of the methods.- 5.3.2 Newton’s method with reduction parameter.- 5.3.3 Brinkley’s method.- 5.3.4 Modification of Brinkley’s method.- 5.3.5 The NASA method.- 5.3.6 Gradient methods.- 5.4 General methods which do not require stoichiometric analysis of the system.- 5.4.1 Principle of the methods.- 5.4.2 The White-Johnson-Dantzig method.- 5.4.3 The method of Lagrangian multipliers.- 5.4.4 Linear and convex programming methods.- 5.5 Evaluation.- 5.6 Description of selected methods.- 5.6.1 Newton’s method with reduction parameter.- 5.6.2 Brinkley’s method.- 5.6.3 The White-Johnson-Dantzig method.- 5.6.4 The method of Lagrangian multipliers.- 5.6.5 Mutual comparison of the methods.- 5.7 Calculation of the enthalpy balance of complicated systems.- 5.7.1 Calculations of adiabatic temperature.- 5.7.2 Calculations of the initial mass balance.- 6 Chemical Equilibria in Real Gas Systems.- 6.1 Fundamentals thermodynamic notions.- 6.1.1 Fugacity of a constituent in a mixture.- 6.1.2 Partial molar volume.- 6.1.2.1 Viral expansion.- 6.1.2.2 The Redlich-Kwong equation.- 6.1.2.3 The Beattie-Bridgman equation.- 6.1.2.4 The Benedict-Webb-Rubin equation.- 6.2 Determination of equilibrium composition.- 6.2.1 The generalized solution.- 6.2.1.1 Procedure based on expressing the equilibrium constants of individual reactions.- 6.2.1.2 Procedure based on the White-Johnson-Dantzig method.- 6.2.1.3 Method of Lagrangian multipliers.- 6.2.2 The iterative procedure.- 6.2.3 Approximate solution.- 6.2.3.1 Determination of the equilibrium composition from known equilibrium constants of the individual reactions.- 6.2.3.2 Determination of equilibrium composition from the minimum of overall free enthalpy of the system.- 6.3 Determination of the fugacity coefficients of constituents in the system.- 6.3.1 Determination of fugacity coefficients for high pressures.- 6.3.1.1 Virial expansion.- 6.3.1.2 The Redlich-Kwong equation.- 6.3.1.3 The Beattie-Bridgman equation.- 6.3.1.4 The Benedict-Webb-Rubin equation.- 6.3.2 Determination of fugacity coefficients at low pressures.- 6.3.2.1 Virial expansion.- 6.3.2.2 The Redlich-Kwong equation.- 6.3.2.3 The Beattie-Bridgman equation.- 6.4 Determination of the constants of equations of state of pure constituents.- 6.4.1 Tabulated data.- 6.4.2 Determination of the constants of equations of state from critical data.- 6.4.2.1 Virial expansion.- 6.4.2.2 The Redlich-Kwong equation.- 6.4.2.3 The Beattie-Bridgman equation.- 6.4.2.4 The Benedict-Webb-Rubin equation.- 6.4.3 Estimation of constants.- 7 Practical Calculation Procedure.- 7.1 Source of thermochemical data.- 7.1.1 Accuracy of data.- 7.1.2 Methods of determining thermochemical data.- 7.1.2.1 Experimental methods.- 7.1.2.2 Calculation methods.- 7.1.3 Method of tabulating data.- 7.1.4 Data collections.- 7.2 Strategy of calculation.- 7.3 Processing the calculated results.- 7.4 Example.- 7.4.1 Preliminary classification of reactions taking place.- 7.4.2 Thermochemical data.- 7.4.3 Calculation of the equilibrium composition.- 7.4.4 Technologic conclusions.- Appendix 1 Solution of one non-linear equation.- Appendix 2 Solution of a set of non-linear equations.- Appendix 3 Proof of the inequality.- Appendix 4 Proof of the asymptotic relationship.- Appendix 5 Maximum yield of a reaction.- Appendix 6 Proof of the existence and unambiguous nature of the solution to the problem of chemical equilibrium in ideal gas systems.- Appendix 7 Values of the most frequently encountered compounds in the range of 298.15 to 1200 K, and values of in cal mole and cal mole resp..- Appendix 9 Critical data of selected organic substances.- Appendix 10 Values of constants of the Beattie-Bridgman equation.- Appendix 11 Values of constants of the Benedict-Webb-Rubin equation.- References.

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