Open AccessDigital model of polymer molecules
Author(s) -
С. А. Зайцев,
Михаил Е. Семенов,
Peter A. Meleshenko,
С. Г. Тихомиров,
A.P. Chernyaev
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1745/1/012095
Subject(s) - polymer , software , molecule , visualization , chain (unit) , computer science , statistical physics , materials science , physics , chemistry , composite material , data mining , organic chemistry , astronomy , programming language
The article is devoted to the construction and analysis of a digital model of polymer molecules. In this regard, the pseudo-random value generator (the Mersenne Vortex) from the C++ library of the C++11 standard was investigated. A method for spatial modelling of a polymer chain with free and fixed valence angles is developed and described. A software for building polymer molecules with given parameters is implemented within C++. A program for visualization of polymer structures is implemented in C#. Fractal dimensions for polymer chains with different stochastic properties were calculated. The basis for the further development of the software for simulation of radiolysis of polymers has been introduced.