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

被引：10

作者：

Amadei, A ^{[1
]}

Roccatano, D ^{[1
]}

Apol, MEF ^{[1
]}

Berendsen, HJC ^{[1
]}

DiNola, A ^{[1
]}

机构：

[1] UNIV ROMA LA SAPIENZA,DEPT CHEM,I-00185 ROME,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1996年 / 105卷 / 16期

关键词：

D O I：

10.1063/1.472503

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (C) 1995 American Institute of Physics.

引用

页码：7022 / 7025

页数：4

共 18 条

[1] The quasi-Gaussian entropy theory: Free energy calculations based on the potential energy distribution function
Amadei, A
Apol, MEF
DiNola, A
Berendsen, HJC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (04) : 1560 - 1574
[2] Application of the quasi-Gaussian entropy theory to the calculation of thermodynamic properties of water and methane in the liquid and gas phase
Apol, MEF
Amadei, A
Berendsen, HJC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (17) : 6665 - 6678
[3] ATKINS PW, 1987, PHYSICAL CHEM
[4] Denbigh K.G., 1955, The Principles of Chemical Equilibrium
[5] DUNNING KA, 1978, J STAT COMPUT SIM, V6, P115
[6] Hill T., 1956, Statistical Mechanics: Principles and Statistical Applications
[7] HODGMAN CD, 1955, CRC HDB CHEM PHYSICS
[8] IIDA T, 1988, PHYSICAL PROPERTIES
[9] Johnson N.L., 1970, DISTRIBUTIONS STAT C
[10] LIDE DR, 1994, CRC HDB CHEM PHYSICS

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