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Acta Physico-Chimica Sinica  1999, Vol. 15 Issue (11): 1036-1040    DOI: 10.3866/PKU.WHXB19991115
Note     
Molecular Simulation in Hydrogen,Carbon Monoxide,Methanol and Hexane System
Zhang Xiao-Gang, Li Yong-Wang, Zhong Bing, Peng Shao-Yi
The State Key Lanoratory of Coal Conversion,Institute of Coal Chemistry,Tiayuan 030001
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Abstract  

Monte Carlo simulation techniques were used to study the microscopic structure of mixtures of hydrogen, carbon monoxide, methanol and hexane with different densities. The results showed that aggregation between methanol molecules is more distinct than that between hydrogen molecules and between carbon monoxide molecules with different densities. Hexane distribution densities around hydrogen, carbon monoxide and methanol were similar when the solution density was low, and hexane distribution density around methanol was large than that around carbon monoxide and hydrogen with solution density decreasing.



Key wordsMonte Carlo simulation      Hydrogen      Carbon monoxide      Methanol      Hexane     
Received: 12 January 1999      Published: 15 November 1999
Corresponding Authors: Li Yong-Wang   
Cite this article:

Zhang Xiao-Gang, Li Yong-Wang, Zhong Bing, Peng Shao-Yi. Molecular Simulation in Hydrogen,Carbon Monoxide,Methanol and Hexane System. Acta Physico-Chimica Sinica, 1999, 15(11): 1036-1040.

URL:

http://www.whxb.pku.edu.cn/10.3866/PKU.WHXB19991115     OR     http://www.whxb.pku.edu.cn/Y1999/V15/I11/1036

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