VIRIAL COEFFICIENTS FOR THE HARD GAUSSIAN OVERLAP MODEL

Ssu-Li Huang and Venkat R. Bhethanabotla ()
Additional contact information
Ssu-Li Huang: Department of Chemical Engineering, University of South Florida, Tampa, Florida 33620-5350, USA
Venkat R. Bhethanabotla: Department of Chemical Engineering, University of South Florida, Tampa, Florida 33620-5350, USA

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 02n03, 361-374

Abstract: Monte Carlo estimates of virial coefficients up to the sixth for the Hard Gaussian Overlap (HGO) model are presented for values of the aspect ratio parameterκof the model ranging from 0.05 to 10. The sixth coefficients are new and the lower coefficients are improvements on previous numerical estimates. The second virials are found to be in excellent agreement with an analytical integration reported in the literature. Padé (3, 3) approximations to the pressure and residual Helmholtz energy were constructed. Attempts to represent coefficients in these approximations by analytical functions ofκwere not successful due to singularities in these functions. In the approximate range of4.5≤κ≤ 5.5, the (3, 3) Padé approximations were found to be no better than lower ones. Comparisons with available Monte Carlo simulated pressures for moderately aspherical fluids were found to be good.

Keywords: Virial coefficients; Monte Carlo integration; Nonspherical molecules; Hard body models; Pade approximation (search for similar items in EconPapers)
Date: 1999
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0129183199000279
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:ijmpcx:v:10:y:1999:i:02n03:n:s0129183199000279

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0129183199000279

Access Statistics for this article

International Journal of Modern Physics C (IJMPC) is currently edited by H. J. Herrmann

More articles in International Journal of Modern Physics C (IJMPC) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().