Application of the functional renormalization group method to classical free energy models

Lue, Leo (2015) Application of the functional renormalization group method to classical free energy models. AIChE Journal, 61 (9). pp. 2985-2992. ISSN 0001-1541 (https://doi.org/10.1002/aic.14868)

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Abstract

A simple functional renormalization group method is presented to correct the behavior of classical free energy models near the critical point. This approach is applied to the Soave-Redlich-Kwong equation of state to illustrate its ability to better reproduce the phase behavior of simple fluids and to understand the influence of its parameters on the shape of the vapor-liquid phase diagram. The method is then extended to account for the correlations induced by intramolecular bonds. It is then applied to a first order thermodynamic perturbation theory for chain fluids to examine fluids composed of linearly bonded Lennard-Jones atoms. Unlike previous approaches for applying renormalization group corrections to chain fluids, this is able to accurately reproduce the critical point without predicting an overly flat liquid-vapor coexistence region.

  • Item type:Article
    ID code:53809
    Dates:
    Date
    Event
    September 2015
    Published
    7 August 2015
    Published Online
    11 May 2015
    Accepted
    Notes:This is the peer reviewed version of the following article: Lue, L. (2015), Application of the functional renormalization group method to classical free energy models. AIChE J., 61: 2985–2992, which has been published in final form at http://dx.doi.org/10.1002/aic.14868. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
    Subjects:Technology > Chemical engineering
    Department:Faculty of Engineering > Chemical and Process Engineering
    Depositing user: Pure Administrator
    Date deposited:21 Jul 2015 14:51
    Last modified:08 Apr 2024 22:18
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/53809
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