ORIENTATION OF HYDROCARBON MOLECULES ON THE CRYSTALS SURFACE
Abstract
Orientation of hydrocarbon molecules towards the surface of graphite and
polyethylene crystals has been simulated. The dependence of the interaction energy
of hydrocarbon molecules with the surface on angles characterizing their orientation
relatively to crystal surface is calculated. The dependences of the probability
of various orientational states on orientation angles are found. The average
values of the degree of orientation of molecules towards the crystal surface and of
the orientation factor are calculated. The dependence of the minimal value of the
energy of hydrocarbons interaction with surfaces on the number of atoms in a
molecule is found.
polyethylene crystals has been simulated. The dependence of the interaction energy
of hydrocarbon molecules with the surface on angles characterizing their orientation
relatively to crystal surface is calculated. The dependences of the probability
of various orientational states on orientation angles are found. The average
values of the degree of orientation of molecules towards the crystal surface and of
the orientation factor are calculated. The dependence of the minimal value of the
energy of hydrocarbons interaction with surfaces on the number of atoms in a
molecule is found.
About the Authors
Ю. Пашинина
Московский государственный областной университет
Russian Federation
Russian Federation
Д. Чаусов
Московский государственный областной университет
Russian Federation
Russian Federation
А. Дадиванян
Московский государственный областной университет
Russian Federation
Russian Federation
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