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A New Concept for Augmented Van der Waals Equations of State

Result description

A novel approach to perturbed equations of state for simple fluids is presented and its advantages over the traditional perturbed hard sphere equations are demonstrated by its application to several model fluids. The approach is based on a short range Yukawa reference which incorporates, in addition to repulsive interactions, also attractive interactions at short separations. The considered models of common interest are the Sutherland, Lennard-Jones, and EXP6 fluids. It is shown that using the proposedapproach the reference system captures a good deal of properties of the studied fluids and that an accurate equation of state can be obtained using only the crude mean field (augmented van der Waals) approach.

Keywords

perturbation theorymolecular-based equation of stateyukawa fluid

The result's identifiers

Alternative languages

  • Result language

    angličtina

  • Original language name

    A New Concept for Augmented Van der Waals Equations of State

  • Original language description

    A novel approach to perturbed equations of state for simple fluids is presented and its advantages over the traditional perturbed hard sphere equations are demonstrated by its application to several model fluids. The approach is based on a short range Yukawa reference which incorporates, in addition to repulsive interactions, also attractive interactions at short separations. The considered models of common interest are the Sutherland, Lennard-Jones, and EXP6 fluids. It is shown that using the proposedapproach the reference system captures a good deal of properties of the studied fluids and that an accurate equation of state can be obtained using only the crude mean field (augmented van der Waals) approach.

  • Czech name

  • Czech description

Classification

  • Type

    Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

Others

  • Publication year

    2010

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Supercritical Fluids

  • ISSN

    0896-8446

  • e-ISSN

  • Volume of the periodical

    55

  • Issue of the periodical within the volume

    2

  • Country of publishing house

    NL - THE KINGDOM OF THE NETHERLANDS

  • Number of pages

    7

  • Pages from-to

  • UT code for WoS article

    000286444100006

  • EID of the result in the Scopus database

Basic information

Result type

Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

Jx

CEP

CF - Physical chemistry and theoretical chemistry

Year of implementation

2010