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

• ARTICLE • Previous Articles     Next Articles

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   

  1. 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


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