Microscopic approach to the description of thermodynamic properties of water


N. Malomuzh1, I. Zhyganiuk1 and P. Mahlaichuk1

1Department of Theoretical Physics, I.I. Mechnikov Odessa National University, Ukraine

Keywords: microscopic approach
property: thermodynamic properties
material: water

The present work as devoted to the development of the subsequent description of thermodynamic properties of water on the base of generalized polarization Stillinger – David’s potential [1, 2]. The main attention as focused on 1) the generalization of the Stillinger – David’s potential, which is able to reproduce all important properties of inter - particle interaction in water; 2) the construction of the averaged inter-molecular potential which is responsible for thermodynamic properties of water (the average procedure is caused by the rotational motion of molecules) [3]; 3) the consideration and detailed analysis of main thermodynamic properties: equation of state, the positions of binodal and spinodal, the location of the melting and critical points, the number of H-bonds per molecule, the role of clusterization, in the first place, the dimerization process, the surprising behavior of the heat capacity.

The role and peculiarities of hydration effects  in weak solutions of electrolytes are studied. For these objects the further generalization of the Stillinger – David’s potential is carried out. Deviations of water - electrolyte solutions from ideal mixture are estimated. The anomalous manifestation of the isotropic effect on the behavior of entropy and the heat capacity is discussed.

References
  1. I.V. Zhyganiuk, Proceedings of the NAS of Ukraine, 8, 77 (2009)

  2. I.V. Zhyganiuk, Proceedings of the NAS of Ukraine, 11, 72 (2009)

  3. Sergey V. Lishchuk, Nikolay P. Malomuzh, Pavel V. Makhlaichuk, Physics Letters A 374, 2084 (2010)

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