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Molecular mean field theory for liquid water

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  • Kanth, Jampa Maruthi Pradeep
  • Anishetty, Ramesh

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 have considered lattice water as an example, and we have enunciated the consequences of the sum rule through a general computational procedure called molecular mean field theory. Fluctuations about the 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 the liquid phase. Long-range Coulomb interactions are shown to have minor effects on our results.

Suggested Citation

  • Kanth, Jampa Maruthi Pradeep & Anishetty, Ramesh, 2012. "Molecular mean field theory for liquid water," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 391(3), pages 439-455.
    • Handle: RePEc:eee:phsmap:v:391:y:2012:i:3:p:439-455
    DOI: 10.1016/j.physa.2011.08.027
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    References listed on IDEAS

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    1. Meijer, Paul H.E. & Kikuchi, Ryoichi & Papon, Pierre, 1981. "Phase diagram of water based on a lattice model," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 109(3), pages 365-381.
    2. Jeffrey R. Errington & Pablo G. Debenedetti, 2001. "Relationship between structural order and the anomalies of liquid water," Nature, Nature, vol. 409(6818), pages 318-321, January.
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    Cited by:

    1. Kanth, Jampa Maruthi Pradeep & Anishetty, Ramesh, 2013. "Hydrophobic force, a Casimir-like effect due to hydrogen-bond fluctuations," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 392(20), pages 4804-4823.

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