MODELIROVANIE RADIAL'NOY FUNKCII RASPREDELENIYA PLOTNOSTI SEGMENTOV POLIMERNOGO KLUBKA METODOM MONTE-KARLO
Abstract and keywords
Abstract (English):
The computer simulation of conformations of macromolecules by Monte Carlo calculation of their geometric characteristics has been performed. Radial density distribution functions within the coil were determined for macromolecular chains of different lengths, containing from 100 to 10,000 segments. Influence of the quantity of intermolecular contacts and interaction energy segments of the polymer with solvent molecules on the probability of the various macromolecular structures were investigated. Obtained approximation relation linking the radial distribution function with energy of intermolecular interaction.

Keywords:
макромолекулярный клубок, Монте-Карло метод, macromolecular coil, Monte Carlo method
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