Computer Modeling of the OH Hydration Sheath
at Molecular Level: The Microstructure

S. V. Shevkunov

St. Petersburg State Technical University, ul. Politekhnicheskaya 29, St. Petersburg, 195251 Russia

Received March 12, 1997

Abstract—The ion–molecule interaction potential, developed earlier, is used to model the OH(H₂O)_n clusters
at 300 K in a wide range of pressures of vapor, with which the cluster ion is at equilibrium. The hydration sheath
structure is loose. The nature of the paired intermolecular correlations is close to that in liquid water. The
unpaired interactions at contact distances from the ion lead to water molecules being forced out of the first
hydration layer, with a simultaneous space reorientation of molecules.

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