Prediction of the liquid–vapor equilibrium pressure using the quasi-Gaussian entropy theory

J. Chem. Phys. 105, 7022 (1996); DOI:10.1063/1.472503

A. Amadei
Groningen Biomolecular Sciences and Biotechnology Institute (GBB), Department of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands
D. Roccatano
Department of Chemistry, University of Rome (La Sapienza), P. le A. Moro 5, 00185 Rome, Italy
M. E. F. Apol and H. J. C. Berendsen
Groningen Biomolecular Sciences and Biotechnology Institute (GBB), Department of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands
A. Di Nola
Department of Chemistry, University of Rome (La Sapienza), P. le A. Moro 5, 00185 Rome, Italy

FULL TEXT

We derived a method to evaluate the liquid–vapor equilibrium pressure, with high accuracy over a large range of temperature, using the quasi-Gaussian entropy theory. The final expression that we obtain for the equilibrium pressure as a function of the temperature can be considered as a very accurate approximate solution of the Clausius–Clapeyron equation. The method was applied to water, methanol and mercury, and was compared to two usual approximations of the Clausius–Clapeyron equation. ©1996 American Institute of Physics.

History:

Received 16 April 1996; accepted 22 July 1996