Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6877636 | Journal of Molecular Graphics and Modelling | 2015 | 23 Pages |
Abstract
- Hydroxy terminated novel polyethers are studied by atomistic simulations.
- Most probable polymer models are derived from NVT/NPT-MD simulations.
- Tg is calculated from the plot of specific volume versus temperature.
- Parrinello method is employed for studying the stress-strain relationships.
- Polymers with triazoles and imidazoles posses good mechanical and explosive properties.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Radhakrishnan Sarangapani, Sreekantha T. Reddy, Arun K. Sikder,