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Citation: Zhang Xiao-Gang, Li Yong-Wang, Zhong Bing, Peng Shao-Yi. Molecular Simulation in Hydrogen,Carbon Monoxide,Methanol and Hexane System[J]. Acta Physico-Chimica Sinica, ;1999, 15(11): 1036-1040. doi: 10.3866/PKU.WHXB19991115 shu

Molecular Simulation in Hydrogen,Carbon Monoxide,Methanol and Hexane System

1.
The State Key Lanoratory of Coal Conversion,Institute of Coal Chemistry,Tiayuan 030001

Received Date: 12 January 1999
Available Online: 15 November 1999

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.
- Monte Carlo simulation,
- Hydrogen,
- Carbon monoxide,
- Methanol,
- Hexane
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