Thermodynamic properties and liquid-gas phase diagram of the dipolar hard-sphere fluid
Thermodynamic properties and liquid-gas phase diagram of the dipolar hard-sphere fluid
复制标题
偶极硬球流体的热力学性质及液-气相图
DOI：
10.1209/0295-5075/80/56002
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发表时间：
2007
期刊：
影响因子：
--
通讯作者：
P. Cummings
中科院分区：
文献类型：
--
作者：
Y. V. Kalyuzhnyi;I. A. Protsykevytch;P. Cummings
发展了一种具有中心力结合势的缔合流体热力学微扰理论。该理论用于描述偶极硬球体流体在中低温下的热力学性质。提出的理论的精度范围从中温下的定量到低温下的定性。计算了临界点位置与最近的计算机模拟估算的预测合理一致的气液相图。
A version of the thermodynamic perturbation theory for associative fluids with central force associative potential is developed. The theory is used to describe thermodynamic properties of the fluid of dipolar hard spheres at intermediate and low temperatures. The accuracy of the theory proposed ranges from quantitative at intermediate temperatures to qualitative at low temperatures. The liquid-gas phase diagram with the critical point located in reasonable agreement with the prediction of a recent computer simulation estimate is calculated.