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Citation: 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 Physico-Chimica Sinica, ;2000, 16(01): 31-35. doi: 10.3866/PKU.WHXB20000107 shu

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

1.
Institute of Chemistry,Chinese Academy of Science,Beijing 100080

Received Date: 19 March 1999
Available Online: 15 January 2000

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.
- Supercritical fluid,
- Density,
- Partial molar volume,
- Molecular interaction,
- Molecular simulation,
- Solution structure
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