First principles studies on the solvation and dissociations of hydrated di-anions (SO₄²⁻ and C₂O₄²⁻) and of solvated sodium.
Compared to SO42-(H2O)n, the solute-solvent interaction is favorable by C2O4 2- (H2O)n, n = 6∼12, due to two charges separation and more space in C2O42-. Because of the extensive hydration bonds, the stepwise solvation energy is around 15 kcal/mol even for larger clusters. The solvation dyna...
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| Format: | Others |
| Language: | English Chinese |
| Published: |
2006
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| Online Access: | http://library.cuhk.edu.hk/record=b6074095 http://repository.lib.cuhk.edu.hk/en/item/cuhk-343724 |