Dynamical Property of Oriented Molecular Solution

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Dynamical behavior of molecular solution with orientation was investigated by means of Monte Calro simulation of the electrolyte solution at the electrode interface and dynamical density functional method of reorientation of solvent due to a rarid change of electronic state of a solue molecule. The result of the simulation study is as follows. The adsorbed, layred structure of electrolyte ions is formed just in touch with the electrode surface and its layred structure is deformed when external field is applied. this layr is considered to be the Helmholtz double layr as expected before. The energy gap dependence of the electrode reaction rate (energy gap law) is calculated. It is not a bell shaped one which is expected by the linear response theory, but like trapezoid with broad width, suggesting a strong nonlinear contribution in the solvent fluctuation at the electrode interface. The result of the analysis by dynamical density functional method is as follows. A large nonlinear phenomenon was observed in the reorientational dynamics of the mixed solvents of two kinds. It was clearified that the origin of this nonlinearity is the coupling between the reorientational motion and the translational motion of the two kind of solvent molecules. Combinng those results, we can say that a large nonlinear phenomenon exists in the oriented molecular solutions.