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- V . I . Kapko, Sergei A. Egorov
- The Journal of chemical physics
- 2004

A mode-coupling treatment of polar solvation dynamics in supercritical fluids is presented. The equilibrium solvation time correlation function for the solute fluctuating transition frequency is obtained from the mode-coupling theory method and from molecular-dynamics simulations. The theory is shown to be in good agreement with the simulation. The… (More)

The solution of the associative mean-spherical approximation for iondipolar system is reinvestigated and expressed in terms of only five parameters. Three of them have counterparts in the case without association, and the other two are the monomer fractions of ions and dipoles. The explicit expressions for the thermodynamic quantities are represented in a… (More)

A simple electrolyte in a polar solvent is modelled by a mixture of polar hard spheres and equal diameter charged hard spheres with the possibility of ionic dimerization. The analytical solution of the associative mean spherical approximation (AMSA) for this model is derived to its full extent. Explicit expressions for pair correlation functions and… (More)

Abstract. A mechanism of HCl and water co-adsorption at ice surface is studied within a simple two-component model, treated in the mean field approximation. It is shown that a realistic choice of the HCl-water interaction (about the hydrogen bond strength) leads to a remarkable increase of HCL uptake in comparison to the case when HCl is adsorbed alone.… (More)

- V . I . Kapko, Dmitry V Matyushov
- The Journal of chemical physics
- 2006

We develop a linear response theory of solvation of ionic and dipolar solutes in anisotropic, axially symmetric polar solvents. The theory is applied to solvation in polar nematic liquid crystals. The formal theory constructs the solvation response function from projections of the solvent dipolar susceptibility on rotational invariants. These projections… (More)

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