Theory of phase equilibria in multireaction systems

Abstract It is shown that the Gibbs free energy for reacting mixtures may be expressed as an unconstrained function of a set of new composition variables. It follows that the chemical potential (and other thermodynamic function) may also be expressed in a similar way. This leads to a simplified representation of equilibrium and stability conditions for reacting systems that are similar to the nonreacting case provided the new variables are used.

[1]  Jefferson W. Tester,et al.  Thermodynamics and its applications , 1974 .

[2]  M. Doherty,et al.  Vapor-liquid phase equilibrium in systems with multiple chemical reactions , 1995 .

[3]  M. Doherty,et al.  On the dynamics of distillation processes-V: The topology of the boiling temperature surface and its relation to azeotropic distillation , 1984 .

[4]  Robert A. Heidemann Non-uniqueness in phase and reaction equilibrium computations , 1978 .

[5]  M. Doherty,et al.  Theory of phase diagrams and azeotropic conditions for two-phase reactive systems , 1987, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

[6]  Heterogeneous chemical equilibria in multicomponent mixtures , 1989 .

[7]  J. Gibbs On the equilibrium of heterogeneous substances , 1878, American Journal of Science and Arts.

[8]  J. Wei,et al.  Axiomatic Treatment of Chemical Reaction Systems , 1962 .

[9]  L. E. Scriven,et al.  Non-unique reaction equilibria in non-ideal systems , 1976 .

[10]  J. Willard Gibbs,et al.  The scientific papers of J. Willard Gibbs , 1907 .

[11]  Domingos Barbosa,et al.  The influence of equilibrium chemical reactions on vapor—liquid phase diagrams , 1988 .

[12]  M. Michelsen The isothermal flash problem. Part I. Stability , 1982 .

[13]  William R. Smith,et al.  General optimality criteria for multiphase multireaction chemical equilibrium , 1993 .

[14]  Warren D. Seider,et al.  Computation of phase and chemical equilibrium: Part II. Phase‐splitting , 1979 .

[15]  F. P. Stein,et al.  On the derivation and application of solution thermodynamics for reactive components , 1982 .

[16]  Władysław Malesinśki,et al.  Azeotropy and Other Theoretical Problems of Vapour-Liquid Equilibrium , 1965 .

[17]  William R. Smith,et al.  Chemical Reaction Equilibrium Analysis: Theory and Algorithms , 1982 .

[18]  F. P. Stein,et al.  On the derivation and application of solution thermodynamics for reactive components: Application to an acid-gas system , 1983 .

[19]  R. Aris Prolegomena to the rational analysis of systems of chemical reactions , 1965 .

[20]  Michael F. Doherty,et al.  Calculation of solid-liquid equilibrium and crystallization paths for melt crystallization processes , 1995 .

[21]  M. Michelsen The isothermal flash problem. Part II. Phase-split calculation , 1982 .

[22]  Warren D. Seider,et al.  Computation of phase and chemical equilibrium: Part III. Electrolytic solutions , 1979 .

[23]  Hans G. Othmer,et al.  Nonuniqueness of equilibria in closed reacting systems , 1976 .

[24]  Frederick J. Krambeck,et al.  The mathematical structure of chemical kinetics in homogeneous single-phase systems , 1970 .

[25]  W. Seider,et al.  Computation of phase and chemical equilibrium: Part I. Local and constrained minima in Gibbs free energy , 1979 .

[26]  Michael F. Doherty,et al.  Material stability of multicomponent mixtures and the multiplicity of solutions to phase-equilibrium equations. 1. Nonreacting mixtures , 1983 .

[27]  Michael F. Doherty,et al.  Necessary and sufficient conditions for reactive azeotropes in multireaction mixtures , 1995 .

[28]  Domingos Barbosa,et al.  A new set of composition variables for the representation of reactive-phase diagrams , 1987, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

[29]  J. O’Connell,et al.  Solution thermodynamics for “reactive” components , 1981 .

[30]  Aage Fredenslund,et al.  Calculation of simultaneous chemical and phase equilibria in nonideal systems , 1989 .

[31]  L. E. Baker,et al.  Gibbs energy analysis of phase equilibria , 1982 .

[32]  Y. Jiang,et al.  Global Optimality Conditions and their Geometric Interpretation for the Chemical and Phase Equilibrium Problem , 1995, SIAM J. Optim..

[33]  H. Chien,et al.  Simultaneous Chemical and Phase Equilibrium Calculation , 1973 .