A DFT study on clay–cation–water interaction in montmorillonite and beidellite
✍ Scribed by A. Chatterjee; T. Iwasaki; T. Ebina; A Miyamoto
- Book ID
- 117627345
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 449 KB
- Volume
- 14
- Category
- Article
- ISSN
- 0927-0256
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📜 SIMILAR VOLUMES
## EXPERIMENTAL The kinetics of Cu 2/ exchange on a Na-montmorillonite clay mineral were investigated at three temperatures, in acetonitrile Materials (AcN) and dimethylformamide (DMF) solvents. The solvent effects on the reaction rate were discussed. The thermodynamic The montmorillonite clay sa
## Abstract Solute–solvent interaction energies for the benzene molecule dissolved in water are computed using Hartree‐Fock and B3LYP density functional theories. Explicit solvent molecules up to 14‐Å away from the dissolved benzene molecule are included in the calculation of interaction energies.