### 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 language | English (US) |
---|---|

Article number | 236101 |

Journal | Journal of Chemical Physics |

Volume | 122 |

Issue number | 23 |

DOIs | |

State | Published - Jun 15 2005 |

Externally published | Yes |

### Fingerprint

### ASJC Scopus subject areas

- Atomic and Molecular Physics, and Optics

### Cite this

*Journal of Chemical Physics*,

*122*(23), [236101]. https://doi.org/10.1063/1.1893829

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

Research output: Contribution to journal › Article

*Journal of Chemical Physics*, vol. 122, no. 23, 236101. https://doi.org/10.1063/1.1893829

}

TY - JOUR

T1 - Simple bond length dependence

T2 - A correspondence between reactive fluid theories

AU - Dyer, Kippi M.

AU - Perkyns, John S.

AU - Pettitt, Bernard

PY - 2005/6/15

Y1 - 2005/6/15

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=34548095340&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34548095340&partnerID=8YFLogxK

U2 - 10.1063/1.1893829

DO - 10.1063/1.1893829

M3 - Article

VL - 122

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 23

M1 - 236101

ER -