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Acta Physico-Chimica Sinica  2000, Vol. 16 Issue (01): 31-35    DOI: 10.3866/PKU.WHXB20000107
Article     
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
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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 wordsSupercritical fluid      Density      Partial molar volume      Molecular interaction      Molecular simulation      Solution structure     
Received: 19 March 1999      Published: 15 January 2000
Corresponding Authors: Han Bu-Xing   
Cite this article:

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. Acta Physico-Chimica Sinica, 2000, 16(01): 31-35.

URL:

http://www.whxb.pku.edu.cn/10.3866/PKU.WHXB20000107     OR     http://www.whxb.pku.edu.cn/Y2000/V16/I01/31

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