Output details
12 - Aeronautical, Mechanical, Chemical and Manufacturing Engineering
University of Manchester : A - Chemical Engineering
Article title
Calculation of direct correlation function for hard particles using a virial expansion
Type
D - Journal article
Title of journal
Molecular Physics
Article number
-
Volume number
107
Issue number
4-6
First page of article
375
ISSN of journal
1362-3028
Year of publication
2009
URL
-
Number of additional authors
3
Additional information
Virial expansions are often used to calculate thermodynamic properties but, to our knowledge, this is the first attempt to use such an expansion to calculate liquid structure. We showed that an expansion of the hard sphere direct correlation function to 8th order gave remarkably good prediction for the radial distribution function and also excellent predictions of the structures of hard spheroid fluids. We believe this offers a new and fundamental way to calculate liquid structure.
Interdisciplinary
-
Cross-referral requested
-
Research group
None
Proposed double-weighted
No
Double-weighted statement
-
Reserve for a double-weighted output
No
Non-English
No
English abstract
-
