Simultaneous free-volume modeling of the self-diffusion coefficient and dynamic viscosity at high pressure

C. Boned, A. Allal, A. Baylaucq, C. K. Zéberg-Mikkelsen, D. Bessieres, and S. E. Quiñones-Cisneros
Phys. Rev. E 69, 031203 – Published 25 March 2004
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Abstract

In this work, a simultaneous modeling of the self-diffusion coefficient and the dynamic viscosity is presented. In the microstructural theory these two quantities are governed by the same friction coefficient related to the mobility of the molecule. A recent free-volume model, already successfully applied to dynamic viscosity, has been considered and generalized. In this generalized model the compound is characterized by only four parameters. But if the quadratic length is known, the number of adjustable parameters is three. The compounds considered in this work are benzene, carbon tetrachloride, chlorotrifluoromethane, cyclohexane, methylcyclohexane, and tetramethylsilane. For these pure compounds we have found in the literature several data for both the self-diffusion and the dynamic viscosity in large viscosity, diffusion, temperature, and pressure intervals (up to around 500 MPa for methylcyclohexane and tetramethylsilane). The average absolute deviation obtained by the modeling is generally less than 3% for the viscosity and 5% for the self-diffusion.

  • Received 16 October 2002

DOI:https://doi.org/10.1103/PhysRevE.69.031203

©2004 American Physical Society

Authors & Affiliations

C. Boned1,*, A. Allal2, A. Baylaucq1, C. K. Zéberg-Mikkelsen1, D. Bessieres1, and S. E. Quiñones-Cisneros3

  • 1Laboratoire des Fluides Complexes, CNRS UMR No. 5150, Faculté des Sciences et Techniques, Université de Pau, Avenue de l’Université, Boîte Postale 1155, 64013 Pau Cedex, France
  • 2Laboratoire de Physico-Chimie des Polymères, UMR CNRS 5067, Faculté des Sciences et Techniques, Université de Pau, Avenue de l’Université, Boîte Postale 1155, 64013 Pau Cedex, France
  • 3Center for Phase Equilibria and Separation Processes (IVCSEP), Department of Chemical Engineering, Technical University of Denmark, Building 229, 2800 Kgs Lyngby, Denmark

  • *Author to whom correspondence should be addressed. Email address: christian.boned@univ-pau.fr

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Vol. 69, Iss. 3 — March 2004

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