An angle dependent site-renormalized theory for the conformations of n-butane in a simple fluid

An angle dependent site-renormalized theory for the conformations of n-butane in a simple fluid

The angular dependent site-renormalized integral equation theory is developed to compute the dihedral conformation distribution and intermolecular pair distributions of n-butane at infinite dilution in a Lennard-Jones solvent. The equations take advantage of the topological diagrammatic expansion of...

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Bibliographic Details
Main Authors: K.Dyer, J.Perkyns, B.Pettitt, G.Stell
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2007-09-01
Series:Condensed Matter Physics
Subjects:
liquid structure
integral equations
rotameric states
Online Access:http://dx.doi.org/10.5488/CMP.10.3.331

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