Thermophysical properties of hydrogen-helium mixtures: re-examination of the mixing rules via quantum molecular dynamics simulations.
Thermophysical properties of hydrogen-helium mixtures: re-examination of the mixing rules via quantum molecular dynamics simulations.
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DOI：
10.1103/physreve.88.033106
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发表时间：
2013-06
期刊：
影响因子：
--
通讯作者：
Cong Wang;Xiantu He;Ping Zhang
中科院分区：
文献类型：
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作者：
Cong Wang;Xiantu He;Ping Zhang
利用量子分子动力学模拟方法研究了在电子数密度为6.02 × 10^{29}~ 2.41 × 10^{30} m^{-3}、温度为4000 ~ 20000 K的温密物质体系中氢、氦和氢氦混合物的热物理性质。我们专注于动力学性质，如状态方程，扩散系数和粘度。混合规则（密度匹配、压力匹配和二元离子混合规则）已通过检查纯物质的复合性质与量子分子动力学模拟得出的完全相互作用混合物的复合性质来验证。这些混合规则在10%的精度内再现压力，而对于扩散和粘度，其分别为75%和50%。二元离子混合规则使结果更加一致。从一个组件等离子体模型的预测也提供和讨论。
Thermophysical properties of hydrogen, helium, and hydrogen-helium mixtures have been investigated in the warm dense matter regime at electron number densities ranging from 6.02 × 10^{29} ∼ 2.41 × 10^{30} m^{-3} and temperatures from 4000 to 20000 K via quantum molecular dynamics simulations. We focus on the dynamical properties such as the equation of states, diffusion coefficients, and viscosity. Mixing rules (density matching, pressure matching, and binary ionic mixing rules) have been validated by checking composite properties of pure species against that of the fully interacting mixture derived from quantum molecular dynamics simulations. These mixing rules reproduce pressures within 10% accuracy, while it is 75% and 50% for the diffusion and viscosity, respectively. The binary ionic mixing rule moves the results into better agreement. Predictions from one component plasma model are also provided and discussed.