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高密度流体He+H2混合物物态方程研究

DOI: 10.11858/gywlxb.2003.03.003, PP. 173-179

Keywords: 物态方程,流体He+H2混合物,混合规则,&alpha,-exp-6相互作用势

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Abstract:

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vanderWaals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α-exp-6优化势参数,计算了T=300K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0~60GPa和50~7000K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。

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