Role of local environment relaxation in calculating the rates of elementary processes in vapor-liquid systems |
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Authors: | Yu K Tovbin S V Titov |
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Institution: | 1. Karpov Institute of Physical Chemistry, Moscow, 105064, Russia
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Abstract: | The role of local environment relaxation is studied in calculating the rates of elementary processes in vapor-liquid systems consisting of dipole molecules. It is accepted that the intermolecular interaction potential of reaction system components includes dipole-dipole and Lennard-Jones terms. Two limiting cases of short and long characteristic times of an elementary reaction are considered relative to the thermal progressive and rotational motions of neighboring dipole molecules. It is shown that the condition of long characteristic times for elementary reactions that correspond to the concept of activated complex activity distorts the properties of a system. Good correspondence is obtained for the temperature dependence of the water self-diffusion coefficient. |
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