Powered by OpenAIRE graph
Found an issue? Give us feedback
addClaim

This Research product is the result of merged Research products in OpenAIRE.

You have already added 0 works in your ORCID record related to the merged Research product.

Simplified equation of state for non-spherical hard particles: an optimized shape factor approach

Authors: Leonid V. Yelash; Thomas Kraska; Erich A. Müller; Norman F. Carnahan;

Simplified equation of state for non-spherical hard particles: an optimized shape factor approach

Abstract

Based on an analysis using the Carnahan–Muller shape factor approach, mathematically simple and physically sound equations of state for fluids of non-spherical hard particles are proposed. The analysis has been performed using two versions of the statistical associating fluid theory for chains of hard-spheres, the hard convex body equation of state of Boublik and Nezbeda (Collect. Czech. Chem. Commun., 1986, 51, 2301) and the Flory-dimer model of Honnell and Hall (J. Chem. Phys., 1989, 90, 1841). The combination of the shape factor concept with the recently developed generalized biquadratic equation of state BQ75 gives access to simple biquadratic equations of state for different molecular shapes. With the combination of these two methods it is possible to simplify macroscopic models for molecular fluids. Furthermore the generalized method proposed here can be used to obtain simple equations of state from data generated by molecular simulations.

  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    20
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
20
Average
Top 10%
Top 10%
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!