一种简化维里型状态方程预测高温甲烷PVT关系

韩勇; 龙新平; 郭向利

doi:10.7498/aps.63.150505

摘要

为满足描述爆轰环境下高温气体高温、中高压状态的需求，本文提出了一种基于Lennard-Jones（LJ）势能函数的简化维里型状态方程Han-Long（HL）. 应用HL状态方程计算了甲烷1000 K 以上112组理论和实验数据，计算所得体积平均绝对偏差约为1%，最大误差为3.28%，远低于DMW状态方程和BS状态方程的计算偏差. 采用HL状态方程计算了甲烷冲击试验的热力学数据，计算所得体积偏差均小于3%. 结果表明，HL状态方程能够很好的描述高温甲烷的热力学状态.

关键词:

Abstract

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.

Keywords:

作者及机构信息

1.
中国工程物理研究院化工材料研究所, 绵阳 621900;

2.
中国工程物理研究院, 绵阳 621900

基金项目: 国家自然科学基金（批准号：11372291）和科技创新基金（批准号：KJCX-201202）资助的课题.

Authors and contacts

1.
Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900, China;

2.
China Academy of Engineering Physics, Mianyang 621900, China

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 11372291), and the Innovation Foundation of Institute of Chemical Materials, China ( Grant No. KJCX-201202).

参考文献

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施引文献

[1]	Han X H, Chen G M, Wang Q, Cui X L 2005 Natural Gas Chemical Industry 30 52 (in Chinese) [韩晓红, 陈光明, 王勤, 崔晓龙 2005 天然气化工 30 52]
[2]
[3]
[4]	Redlich O, Kwong N S 1949 Chem. Rev. 44 233
[5]	Starling K E, Han M S 1972 Hydrocarbon Processing 51 129
[6]
[7]
[8]	Martin J J, Hou Y C 1955 AIChE J. 1 142
[9]
[10]	Peng D Y, Robinson D B 1976 Ind. Eng. Chem. Fundam. 15 59
[11]
[12]	Li M, Chen C L, Sun J X, Tian R G, Xiao J R 2009 Chin. Phys. B 18 3795
[13]
[14]	Kerrick D M, Jacobs G K 1981 Am. J. Sci. 281 735
[15]	Duan Z H, Muller N, Weare J H 1992 Geochimica et Cosmochimica Acta 56 3839
[16]
[17]	Zhang C, Duan Z H, Zhang Z G 2007 Geochimica et Cosmochimica Acta 71 2036
[18]
[19]
[20]	Belonoshko A, Saxena S K 1991 Geochimica et Cosmochimica Acta 55 3191
[21]
[22]	Galibin N S 2011 High Temperature 49 199
[23]	Mader C L 2008 Numerical modeling of explosives and propellants (New York: CRC Press) p453
[24]
[25]	Wu X, Long X P, He B, Jiang X H 2008 Science in China (Series B: Chemistry) 38 1129 (in Chinese) [吴雄, 龙新平, 何碧, 蒋小华 2008 中国科学 38 1129]
[26]
[27]	Sun C W, Wei Y Z, Zhou Z K 2000 Applied Detonation Physics (Beijing: National Defense Industry Press) p323 (in Chinese) [孙承纬, 卫玉章, 周之奎2000应用爆轰物理(北京: 国防工业出版社)第323页]
[28]
[29]	Marvin B 1986 J. Chem. Phys. 84 535
[30]
[31]	Zhao Y H, Liu H F, Zhang G M, Zhang G C 2011 Acta Phys. Sin. 60 123401 (in Chinese) [赵艳红, 刘海风, 张弓木, 张广财 2011 60 123401]
[32]
[33]
[34]	Zhao Y H, Liu H F, Zhang Q L 2012 Acta Phys. Sin. 61 230509 (in Chinese) [赵艳红, 刘海风, 张其黎 2012 61 230509]
[35]
[36]	Hu J W, Yu Y X 2009 Chin. Phys. Lett. 26 086404
[37]	Benjiamin K M, Schultz A J, Kofke D A 2009 J. Phys. Chem. B 113 7810
[38]
[39]	Benjamin J, Robert H, Eckard B, Eckhard V 2011 J. Chem. Phys. 135 084308
[40]
[41]
[42]	Khasare S B 2011 Chin. Phys. B 20 085101
[43]
[44]	Khasare S B 2012 Chin. Phys. B 21 045102
[45]	Galashev A Y 2013 Chin. Phys. B 22 123602
[46]
[47]
[48]	Hirschfelder J O, Curtiss C F, Bird R B 1954 Molecular Theory of Gases and Liquids (Wiley, New York Press) p34
[49]
[50]	Han Y, Long X P, Huang Y M, Jiang Z H 2009 Chinese Journal of Energetic Materials 17 547 (in Chinese) [韩勇, 龙新平, 黄毅民, 蒋治海 2009 含能材料 17 547]
[51]
[52]	Barker J A, Leonard P J, Pompe A 1966 J. Chem. Phys. 44 4206
[53]	Hu S M, Li C F 1993 Computers and Applied Chemistry 10 115 (in Chinese) [胡绍鸣, 李辰芳 1993 计算机与应用化学 10 115]
[54]
[55]	Docherty H, Galindo A, Vega C, Sanz E 2006 J. Chem. Phys. 125 074510
[56]
[57]	Shmulovich K I, Tereschenko E N, Kalinichev A G 1982 Geokhimiya 11 1598
[58]
[59]	Jorgensen W L, Madura J K, Swenson C J 1984 J. Am. Chem. Soc. 106 6638

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