高密度流体He+H2混合物物态方程研究

陈其峰; 蔡灵仓; 陈栋泉; 经福谦; 赵宪庚

doi:10.11858/gywlxb.2003.03.003

高密度流体He+H2混合物物态方程研究

doi: 10.11858/gywlxb.2003.03.003

1.
北京应用物理与计算数学研究所计算物理实验室，北京 100088；
2.
中国工程物理研究院流体物理研究所冲击波物理与爆轰波物理实验室，四川绵阳 621900

详细信息

通讯作者:
陈其峰

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出版历程
- 收稿日期: 2002-11-05
- 修回日期: 2003-01-02
- 发布日期: 2003-09-05

Study of Equation of State of the Dense Fluid He+H2 Mixtures

1.
National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
2.
Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, Mianyang 621900, China

More Information

Corresponding author: CHEN Qi-Feng

摘要

摘要: 选择高密度流体He+H2混合物作为研究对象，用Ree混合规则和van der Waals单组分流体变分微扰理论加量子力学一级修正模型编制计算程序。作为对计算模型及其程序的检验，首先用已有的-exp-6 优化势参数，计算了T=300 K的He+H2混合物的等温相平衡线，得到了与实验值和分子动力学（MD）数值模拟一致的结果，然后进一步计算了0~60 GPa和50~7 000 K压力温度范围内的流体He+H2混合物（He∶H2分别为1∶1、1∶3、3∶1摩尔比）的高压物态方程。与Monte-Carlo模拟数据所进行的比较表明，在低温下，量子力学修正对热力学量的计算是重要的。
- 物态方程 /
- 流体He+H2混合物 /
- 混合规则 /
- -exp-6相互作用势
Abstract: The mixing rule and the variational perturbation theory together with van der Waals one-fluid model have been used to study the equation of state of the dense fluid He+H2 mixtures with different H2∶He compositions in this work. The first-order quantum correction is included. To test the model and computational code, the isotherm of the fluid He+H2 mixtures at 300 K is calculated by using the existing -exp-6 optimization potential parameters. The calculated isotherm for the fluid He+H2 mixtures is in agreement with the experimental data and molecular dynamics simulations. Then the equation of state of the fluid He+H2 mixtures with different He∶H2 (He∶H2=1∶1, 1∶3, 3∶1) compositions have been further investigated in the pressure range 0~60 GPa and temperature in the range 50~7 000 K. Comparisons of the present results with Monte-Carlo simulations indicate that the quantum corrections for the calculation of the thermodynamic properties become significant at lower temperatures.
- equation of state /
- fluid He+H2 mixtures /
- mixing rule /
- -exp-6 potential

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参考文献(13)

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