Statistical mechanical models of chemical reactions

Abstract

The statistical mechanical study of chemically reactive fluids via the analytic solution of integral equation approximations for such fluids (Cummings, P. T., and Stell, G., 1984, Molec. Phys., 51, 253; 1985, Ibid., 55, 33) is extended to a consideration of solvent effects. This is achieved by studying mixtures of molecular species some of which can undergo reaction (the solute(s)) and one of which is inert (the solvent). The results obtained near infinite dilution of the reacting solute in the inert solvent are similar in magnitude to those observed in experiments on the dissociation equilibrium of dinitrogen tetroxide.