Simple bond length dependence

A correspondence between reactive fluid theories

Kippi M. Dyer, John S. Perkyns, Bernard Pettitt

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The theory of classical, associating fluids in two different but equivalent methods were examined for a pair of simple reactive models and extract low density limits for two models. The first method is the dissociative system equivalent to assuming a rigid bond at some fixed length that has a trivial, discontinuous dissociation energy characterized by a sticky parameter. The second model is a rigid molecule with no dissociation. In both cases, the theory shows that if the total site density is treated as given and the molecular density solved for in terms of the total density, hard sphere diameter, and dimer bond length, then the limits of short and logn bond lengths for both models are equal.

Original languageEnglish (US)
Article number236101
JournalJournal of Chemical Physics
Volume122
Issue number23
DOIs
StatePublished - Jun 15 2005
Externally publishedYes

Fingerprint

Bond length
Fluids
fluids
dissociation
Dimers
dimers
Molecules
molecules
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Simple bond length dependence : A correspondence between reactive fluid theories. / Dyer, Kippi M.; Perkyns, John S.; Pettitt, Bernard.

In: Journal of Chemical Physics, Vol. 122, No. 23, 236101, 15.06.2005.

Research output: Contribution to journalArticle

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