Molecular mechanics and dynamics simulation of poly (ethylene oxide) electrolytes
β Scribed by L. Xie; G.C. Farrington
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 341 KB
- Volume
- 53-56
- Category
- Article
- ISSN
- 0167-2738
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The polymer-polymer interaction potential used in an earlier reported MD simulation of crystalline PEO [Neyertz, Brown and Thomas, J. Chem. Phys., 101, 10064 (1994)] is here transferred to the crystalline phase of poly(ethylene oxide)-sodium iodide, PEO,NaI. An appropriate set of ion-ion and ion-po
## Abstract __Ab initio__ and molecular mechanics studies of LiPF~6~ and the interaction of the salt with the poly(ethylene oxide) (PEO) oligomer dimethylether have been performed. Optimized geometries and energies of Li^+^/PF~6~^β^ complexes obtained from quantum chemistry revealed a preference fo
Molecular composites were prepared by the solution blending of poly(ethylene oxide) (PEO) of three different molecular weights with low concentrations of poly(p-phenylene terephthalamide) (PPTA) anion serving as a rigid-rod reinforcement. For all of the composites, the tensile strength, stiffness, a