SCI和EI收录∣中国化工学会会刊

Chinese Journal of Chemical Engineering ›› 2014, Vol. 22 ›› Issue (3): 274-286.DOI: 10.1016/S1004-9541(14)60018-5

• 流体力学与传递现象 • 上一篇    下一篇

Determination of Transport Properties of Dilute Binary Mixtures Containing Carbon Dioxide through Isotropic Pair Potential Energies

Delara Mohammad-Aghaie, Mohammad Mehdi Papari, Amjad Reza Ebrahimi   

  1. Department of Chemistry, Shiraz University of Technology, Shiraz 71555-313, Iran
  • 收稿日期:2012-08-06 修回日期:2013-04-14 出版日期:2014-03-28 发布日期:2014-03-05
  • 通讯作者: Delara Mohammad-Aghaie

Determination of Transport Properties of Dilute Binary Mixtures Containing Carbon Dioxide through Isotropic Pair Potential Energies

Delara Mohammad-Aghaie, Mohammad Mehdi Papari, Amjad Reza Ebrahimi   

  1. Department of Chemistry, Shiraz University of Technology, Shiraz 71555-313, Iran
  • Received:2012-08-06 Revised:2013-04-14 Online:2014-03-28 Published:2014-03-05
  • Contact: Delara Mohammad-Aghaie

摘要: The present work is concerned with extracting information about intermolecular potential energies of binary mixtures of CO2 with C2H6, C3H8, n-C4H10 and iso-C4H10, by the usage of the inversion method, and then predicting the dilute gas transport properties of the mixtures. Using the inverted pair potential energies, the Chapman-Enskog version of the kinetic theory was applied to calculate transport properties, except thermal conductivity of mixtures. The calculation of thermal conductivity through the methods of Schreiber et al. and Uribe et al. was discussed. Calculations were performed over a wide temperature range and equimolar composition. Rather accurate correlations for the viscosity coefficients of the mixtures in the temperature range were reproduced from the present unlike intermolecular potential energies. Our estimated accuracies for the viscosity are within ?2%. Acceptable agreement between the predicted values of the viscosity and thermal conductivity with the literature values demonstrates the predictive power of the inversion scheme. In the case of thermal conductivity our results are in favor of the preference of Uribe et al.'s method over Schreiber et al.'s scheme.

关键词: intermolecular potential, transport properties, carbon dioxide, inversion scheme

Abstract: The present work is concerned with extracting information about intermolecular potential energies of binary mixtures of CO2 with C2H6, C3H8, n-C4H10 and iso-C4H10, by the usage of the inversion method, and then predicting the dilute gas transport properties of the mixtures. Using the inverted pair potential energies, the Chapman-Enskog version of the kinetic theory was applied to calculate transport properties, except thermal conductivity of mixtures. The calculation of thermal conductivity through the methods of Schreiber et al. and Uribe et al. was discussed. Calculations were performed over a wide temperature range and equimolar composition. Rather accurate correlations for the viscosity coefficients of the mixtures in the temperature range were reproduced from the present unlike intermolecular potential energies. Our estimated accuracies for the viscosity are within ?2%. Acceptable agreement between the predicted values of the viscosity and thermal conductivity with the literature values demonstrates the predictive power of the inversion scheme. In the case of thermal conductivity our results are in favor of the preference of Uribe et al.'s method over Schreiber et al.'s scheme.

Key words: intermolecular potential, transport properties, carbon dioxide, inversion scheme