Computer material science of polymers. Volume 1. Atomic-molecular level

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M. : The Scientific World, 1999. 544 s. The monograph presents an approach for quantitative analysis of the influence of the chemical structure of linear and grid polymers on their properties. The approach is based on the representation of a repeating polymer link in the form of a set of anharmonic oscillators that describe the thermal motion of atoms in a field of intra- and intermolecular forces, including weak dispersion forces, dipole-dipole interactions, hydrogen and chemical bonds. Computer programs based on this approach are described, which allow calculations of more than 50 fundamental physical and chemical constants of linear and grid polymers, as well as low-molecular organic liquids. Programs allow you to solve a direct problem, those to quantify the physical properties of polymers based on their chemical structure, and the reverse problem, t. e. perform computer synthesis of polymers with specified physical properties. For chemists, physico-chemists, researchers, graduate students, students.
LF/37118825/R
Data sheet
- Name of the Author
- Аскадский А.А.
Кондрашенко В.И. - Language
- Russian
- ISBN
- 9785891760776