THE PERTURBED-SOFT-CHAIN THEORY - AN EQUATION OF STATE BASED ON THE LENNARD-JONES POTENTIAL

被引：44
作者：
MORRIS, WO
VIMALCHAND, P
DONOHUE, MD
机构：
[1] Department of Chemical Engineering, The Johns Hopkins University, Baltimore
来源：
FLUID PHASE EQUILIBRIA | 1987年 / 32卷 / 02期
关键词：
LENNARD-JONES POTENTIAL - PERTURBED-HARD-CHAIN THEORY (PHCT) - PERTURBED-SOFT-CHAIN THEORY - PURE COMPONENT PARAMETERS - VAPOR PRESSURE ESTIMATION;
D O I：
10.1016/0378-3812(87)85031-8
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Perturbed-Soft-Chain theory is a perturbation theory for chain-like molecules which uses a soft-core (Lennard-Jones) intermolecular potential energy function. Three pure-component parameters are required for the PSCT equation of state. These parameters are reported for 13 normal alkanes and 25 other compounds. The PSCT equation of state does very well in predicting the thermodynamic properties of molecules over a wide range of fluid densities and molecular complexities. The PSCT equation of state is tested against the PHCT and Peng-Robinson equation of state by determining the errors in calculated liquid-densities and vapor pressures for normal alkanes. The PSCT equation of state predicts these properties slightly better than the PHCT equation of state and much better than the Peng-Robinson equation of state. © 1987.
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页码：103 / 115
页数：13
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