Monomer Solvation of Ion Pairs in Anionic Polymerization
β Scribed by EAST, G. C.; HARRISON, M. A.
- Book ID
- 109658954
- Publisher
- Nature Publishing Group
- Year
- 1967
- Tongue
- English
- Weight
- 191 KB
- Volume
- 215
- Category
- Article
- ISSN
- 0028-0836
- DOI
- 10.1038/215273a0
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π SIMILAR VOLUMES
Efficient V-T energy transfer between the vibrational mode of an ionic species and its salvation shell -seen in full molecular dynamics simulations -is interpreted in terms of a model Hamiltonian. The impulse-lie transfer is shown to result from a vibrationally non-adiabatic energy exchange.
Molecular dynamics simulations were performed to investigate the main features describing the solvation of an ion pair by a small number of water molecules as a function of the distance between the ions. We have calculated the potential of mean force between the ions and found that it is strongly re