A mean field analysis of the static dielectric behavior of linear lower alcohols

The static dielectric responses of methanol, ethanol, and 1-propanol up to 1-hexanol are discussed in terms of a stiff-chain lattice model for the alcohol clusters. An analytical expression for the Kirkwood correlation factor gK is derived in terms of the canonical partition function associated to t...

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Bibliographic Details
Published in:The Journal of chemical physics 2004-08, Vol.121 (7), p.3191-3196
Main Authors: Pieruccini, M, Saija, F
Format: Article
Language:English
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Summary:The static dielectric responses of methanol, ethanol, and 1-propanol up to 1-hexanol are discussed in terms of a stiff-chain lattice model for the alcohol clusters. An analytical expression for the Kirkwood correlation factor gK is derived in terms of the canonical partition function associated to the configurational statistics of any of the dimers building up a chain. This allows for the estimate of the dipole moment mu0 of an alcohol molecule in the liquid phase from the temperature dependence of the dielectric constant. All alcohol species appear to be characterized by a dipole moment larger than in the vapor phase. The Kirkwood correlation factor is found to be an increasing function of the alkyl tail length.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1773386