Molecular mean field theory for liquid water

Jampa Maruthi Pradeep Kanth; Ramesh Anishetty

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arXiv · 1004.1547

Molecular mean field theory for liquid water

Jampa Maruthi Pradeep Kanth·Ramesh Anishetty

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Abstract

Attractive bonding interactions between molecules typically have inherent conservation laws which influence the statistical properties of such systems in terms of corresponding sum rules. We considered lattice water as an example and enunciated the consequences of the sum rule through a general computational procedure called "Molecular mean field" theory. Fluctuations about mean field are computed and many of the liquid properties have been deduced and compared with Monte Carlo simulation, molecular dynamics and experimental results. Large correlation lengths are seen to be a consequence of the sum rule in liquid phase. Long range Coulomb interactions are shown to have minor effects on our results.

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Jampa Maruthi Pradeep Kanth, Ramesh Anishetty. 2010-04-09. Molecular mean field theory for liquid water. https://arxiv.org/abs/1004.1547

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