Computer material science of polymers. Atomic-molecular level
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The monograph presents an approach for quantitative analysis 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 dispersed 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 task, t. e. quantify the physical properties of polymers based on their chemical structure, and reverse the problem, t. e. perform computer synthesis of polymers with specified physical properties.
LF/12909871/R
Data sheet
- Name of the Author
- Аскадский А.А.
Кондращенко В.И. - Language
- Russian
- ISBN
- 9785891760776
- Release date
- 1999
- Volume
- Том 1
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The monograph presents an approach for quantitative analysis of the chemical structure of linear and grid polymers on their properties. The approach is based on...