Molecular simulation of the Joule-Thomson inversion curve of carbon dioxide

被引：44

作者：

Chacín, A ^{[1
]}

Vázquez, JM ^{[1
]}

Müller, EA ^{[1
]}

机构：

[1] Univ Simon Bolivar, Dept Termodinam & Fenomenos Transferencia, Caracas 1080, Venezuela

来源：

FLUID PHASE EQUILIBRIA | 1999年 / 165卷 / 02期

关键词：

carbon dioxide; Joule-Thomson coefficient; molecular simulation; equation of state; gas reservoir;

D O I：

10.1016/S0378-3812(99)00264-2

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The complete Joule-Thomson (JT) inversion curve for carbon dioxide is calculated using molecular simulations. A two center Lennard-Jones model with an embedded point quadrupole is used to model the fluid-fluid interactions. The simulation results agree quantitatively with all available experimental data. Comparison with commonly used equations of state provides only a modest agreement, with the highest discrepancies being observed at the high temperature branch of the inversion curve. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：147 / 155

页数：9

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