From determination of the fugacity coefficients to estimation of hydrogen storage capacity:A conveni

来源 :第十三届全国计算机化学学会会议 | 被引量 : 0次 | 上传用户：ironbra

【摘要】

：

【作者】

：

Ran Jia Hong-Xing Zhang

【机构】

：

Institute of Theoretical Chemistry,Jilin University,130023 Changchun,PR China

【出处】

：

第十三届全国计算机化学学会会议

【发表日期】

：

2015年7期

【关键词】

：

equation of state virial expansion DFT density profile

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　　The equation of state(EOS)from virial expansion(VE)is used in this work to pave the way for determining the fugacity coefficients of the hydrogen fluid at arbitrary temperature and pressure.The fugacity coefficients from our VE method have more physical meanings than the empirical values.

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