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Simulations of solvation free energies and solubilities in supercritical solvents

✍ Scribed by Su, Zemin; Maroncelli, Mark

Book ID
111909224
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
621 KB
Volume
124
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

Free energy of solvation from molecular
Free energy of solvation from molecular dynamics simulations for low dielectric solvents
✍ Paulo F. B. GonΓ§alves; Hubert Stassen πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 103 KB

## Abstract Using molecular dynamics simulation, we present new results for the free energy of solvation for solvents with low dielectric constants (CCl~4~, CHCl~3~, benzene). The solvation free energy is computed as the sum of three contributions originated at the cavitation of the solute by the s

Wollastonite solubility and free energy
Wollastonite solubility and free energy of supercritical aqueous CaCl2
✍ W. D. Gunter; H. P. Eugster πŸ“‚ Article πŸ“… 1978 πŸ› Springer 🌐 English βš– 937 KB

The solubility of wollastonite in chloride solutions has been measured between 750~ and 850~ at 2kb pressure and at 800~ at 1 kb pressure. The fugacity of HC1 at P and T was controlled by combining Ag+AgC1 internally with magnetite +hematite+water as an external hydrogen buffer. Silica activity was