Gas-liquid phase coexistence in quasi-two-dimensional Stockmayer fluids: A molecular dynamics study.
Gas-liquid phase coexistence in quasi-two-dimensional Stockmayer fluids: A molecular dynamics study.
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DOI：
10.1063/1.3521393
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发表时间：
2011-01
期刊：
影响因子：
--
通讯作者：
Wenze Ouyang;Shenghua Xu;Zhiwei Sun
中科院分区：
文献类型：
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作者：
Wenze Ouyang;Shenghua Xu;Zhiwei Sun
采用麦克斯韦构造与分子动力学模拟相结合的方法研究了准二维Stockmayer流体的气液共存问题。得到了不同偶极子强度下的相共存曲线和对应的临界点，并计算了临界性质。我们研究了临界点和临界性质与偶极子强度的关系。偶极子强度增大时，准二维Stockmayer流体中气液共存现象不会突然消失。然而，如果偶极子强度足够大，它确实会导致形成很长的可逆链，这使得系统的弛豫非常缓慢，相共存的观察相当困难甚至不可能。
The Maxwell construction together with molecular dynamics simulation is used to study the gas-liquid phase coexistence of quasi-two-dimensional Stockmayer fluids. The phase coexistence curves and corresponding critical points under different dipole strength are obtained, and the critical properties are calculated. We investigate the dependence of the critical point and critical properties on the dipole strength. When the dipole strength is increased, the abrupt disappearance of the gas-liquid phase coexistence in quasi-two-dimensional Stockmayer fluids is not found. However, if the dipole strength is large enough, it does lead to the formation of very long reversible chains which makes the relaxation of the system very slow and the observation of phase coexistence rather difficult or even impossible.