混合超临界流体的密度及分子间相互作用

doi:10.3866/PKU.WHXB20000107

Acta Phys. -Chim. Sin. ›› 2000, Vol. 16 ›› Issue (01): 31-35.doi: 10.3866/PKU.WHXB20000107

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Study of Molecular lnteraction in Mixed Supercritical Fluids by Molecular Simulation and Partial Molar Volume Measurement

Shi Lei, Zhang Xiao-Gang, Zhang Xi-Feng, Yang Guan-Ying, Han Bu-Xing, Yan Hai-Ke

Institute of Chemistry,Chinese Academy of Science,Beijing 100080

Received:1999-03-19 Revised:1999-06-10 Published:2000-01-15
Contact: Han Bu-Xing

Abstract

Abstract:

The densities of the mixtures of CO_2- n-pentane and CO_2- n-heptane were determined at 308.15 K under the pressure range from 7 to 12 MPa. The partial molar volumes of the solutes were calculated. Intermolecular interaction between CO_2 and the solutes was studied based on the partial molar volume data and Monte Carlo simulation.

Key words: Supercritical fluid, Density, Partial molar volume, Molecular interaction, Molecular simulation, Solution structure

Shi Lei, Zhang Xiao-Gang, Zhang Xi-Feng, Yang Guan-Ying, Han Bu-Xing, Yan Hai-Ke. Study of Molecular lnteraction in Mixed Supercritical Fluids by Molecular Simulation and Partial Molar Volume Measurement[J].Acta Phys. -Chim. Sin., 2000, 16(01): 31-35.

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Study of Molecular lnteraction in Mixed Supercritical Fluids by Molecular Simulation and Partial Molar Volume Measurement

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