Liquid-gas phase behavior of Stockmayer fluid with high dipolar moment
Liquid-gas phase behavior of Stockmayer fluid with high dipolar moment
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高偶极矩 Stockmayer 流体的液-气相行为
DOI：
10.5488/cmp.10.4.553
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发表时间：
2007
影响因子：
0.6
通讯作者：
P. Cummings
中科院分区：
文献类型：
--
作者：
Y. Kalyuzhnyi;I. Protsykevitch;P. Cummings
发展了具有中心力缔合势的缔合流体热力学微扰理论的多密度形式。该理论用于描述偶极矩大小从低到高的Stochmayer流体的气液两相行为。在所研究的所有偶极矩范围内，理论计算结果与相应的计算机模拟结果吻合较好。与以前的计算机模拟结果相反，我们的计算预测了软球偶极子流体模型中气液两相共存的发生。
A multi-density version of the thermodynamic perturbation theory for associative fluids with central force associative potential is developed. The theory is used to describe the liquid-gas phase behavior of Stochmayer fluid with different values of the dipole moment ranging from low to high. Results of the theory are in a reasonable agreement with corresponding computer simulation results in a whole range of the dipole moment values studied. Contrary to previous computer simulation findings our calculations predict the occurrence of the liquid-gas phase coexistence for the soft-sphere dipole fluid model.