Prediction of methane PVT relations at high temperatures by a simplified virial equation of state

被引:5
作者
Han Yong [1 ]
Long Xin-Ping [2 ]
Guo Xiang-Li [1 ]
机构
[1] China Acad Engn Phys, Inst Chem Mat, Mianyang 621900, Peoples R China
[2] China Acad Engn Phys, Mianyang 621900, Peoples R China
基金
中国国家自然科学基金;
关键词
equation of state; Lennard-Jones potential function; methane; high temperatures; MOLECULAR-DYNAMICS SIMULATION; FLUIDS; CH4; CO2;
D O I
10.7498/aps.63.150505
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
In order to meet the demand of describing the supercritical gas under high temperature and medium-high pressure conditions, such as in detonation circumstance, a simplified virial equation of state (EOS), named Han-Long (HL), is presented, which is based on Lennard-Jones potential function. One hundred and twelve sets of theoretical data for methane above 1000 K are calculated using HL EOS. We obtain that the volume average absolute deviation (AAD) is about 1% and the maximum error is 3.28%; this error is far lower than the calculation deviation of DMW (Duan-Moller-Weare) EOS and BS (Belonoshko-Saxena) EOS. The shockwave data of methane is also calculated by HL EOS and the AAD are less than 3%. Results show that HL EOS can well describe the thermodynamic state of CH4 at high temperatures.
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页数:6
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