Can the ‘van der Waals loop’ vanish? II. Effect of domain size
Can the ‘van der Waals loop’ vanish? II. Effect of domain size
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DOI：
10.1080/00268979500100521
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发表时间：
1995-03
影响因子：
1.7
通讯作者：
R. Yamamoto;O. Kitao;K. Nakanishi
中科院分区：
文献类型：
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作者：
R. Yamamoto;O. Kitao;K. Nakanishi
范德华（vdW）状态方程预测了一种奇怪的行为模式，称为vdW环，用于汽液共存区域的PV等温线。在分子动力学模拟中，PV等温线在同一区域也经常观察到类似的行为。本研究对一个由55 296个粒子组成的大系统进行了分子动力学模拟，以证实在如此大规模的模拟中，vdW环是否如预期的那样趋于消失。仿真结果表明，vdW回路的幅值具有明显的系统尺寸依赖性。发现55296粒子体系的vdW环比256粒子体系弱得多。从特征域尺寸的角度研究了vdW环的幅值，发现随着平均域尺寸的增大，vdW环的幅值减小。
The van der Waals (vdW) equation of state predicts a strange mode of behaviour, called the vdW loop, for the PV isotherm in the vapour-liquid coexistence region. Similar behaviour is commonly observed also for the PV isotherm in the same region in molecular dynamics simulations. In this study, molecular dynamics simulations have been performed for a large system composed of 55 296 particles to confirm whether the vdW loop tends to vanish as expected with such a large-scale simulation. The simulation result shows that the amplitude of the vdW loop exhibits a remarkable system-size dependence. The vdW loop of the present 55 296-particle system is found to be much weaker than that of the 256-particle system. The amplitude of the vdW loop has been studied in terms of the characteristic domain size, and is found to decrease with the growth of the average domain size.