Gaussian Models for the Statistical Thermodynamics of Liquid Water

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dc.creatorShah, J. K.
dc.creatorAsthagiri, D.
dc.creatorPratt, L. R.
dc.creatorPaulaitis, M. E.
dc.date2006-08-21
dc.date.accessioned2026-07-07T07:25:52Z
dc.date.available2026-07-07T07:25:52Z
dc.descriptionA gaussian distribution of binding energies, but conditioned to exploit generally available information on packing in liquids, provides a statistical-thermodynamic theory of liquid water that is structurally non-committal, molecularly realistic, and surprisingly accurate. Neglect of fluctuation contributions to this gaussian model yields a mean-field theory that produces useless results. A refinement that accounts for sharper-than-gaussian behavior at high binding energies recognizes contributions from a discrete number of water molecules and permits a natural matching of numerically exact results. These gaussian models, which can be understood as vigorous simplifications of quasi-chemical theories, are applicable to aqueous environments where the utility of structural models based on geometrical considerations of water hydrogen bonding have not been established.
dc.description4 pages, 3 figures
dc.identifierhttps://arxiv.org/abs/physics/0608209
dc.identifierhttp://arxiv.org/abs/physics/0608209
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/116873
dc.subjectBiological Physics
dc.subjectChemical Physics
dc.titleGaussian Models for the Statistical Thermodynamics of Liquid Water
dc.typetext

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