Vladimir DeshchenyaMoscow Institute of Physics and Technology | MIPT · Department of General and Applied Physics
Vladimir Deshchenya
Master of Science
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4
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Introduction
Publications
Publications (4)
The shear viscosity of organic liquids is very important for industrial applications. This paper focuses on the blind prediction of concentration-viscosity dependencies for organic mixtures at 298.15 K and 1 bar using molecular dynamics methods. Two mixtures are considered: tributyrin+1-decanol and 1,2-butanediol+1-decanol. The interatomic interact...
The history and prospects for the development of interatomic interaction potentials for the simulation of molecular systems and, in particular, polysaccharides are presented. Popular families of potentials, such as CHARMM, GROMOS, AMBER, and OPLS, are considered. Problems that limit the applicability of these models to sugar monomers have been reco...
In this work, we study the applicability of the equilibrium molecular dynamics methods for the prediction of solution structure, equation of state and transport properties of sucrose aqueous solution for various concentrations and temperatures. The OPLS-AA force field with 1.14*CM1A charge corrections is used to describe the interactions in the mod...
