Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/xmlui/handle/10054/8732
Title: The pervasive solvent-separated sodium chloride ion pair in water-DMSO mixtures
Authors: DAS, AK
TEMBE, BL
Keywords: Constrained Molecular-Dynamics
Dimethyl-Sulfoxide
Mean Force
Na+-Na+
Simulation
Methanol
Cl
Issue Date: 1999
Publisher: INDIAN ACADEMY SCIENCES
Citation: PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 111(2), 353-360
Abstract: Sodium chloride exists as a contact ion pair (CIP) as well as a solvent-separated ion pair (SSIP) in its solutions in water and in dimethyl sulphoxide (DMSO). In a mixture of these two solvents, the CIP is not formed in the two mixture compositions with chi(DMSO) = 0.35 and 0.21 and the ions stay as the SSIP near an interionic distance of 5.0 Angstrom. This has been shown by constructing the ion-ion potentials of mean force and by following the ion-pair trajectories initiated at various initial ion-pair separations in the two solvent mixtures.
URI: http://dspace.library.iitb.ac.in/xmlui/handle/10054/8732
http://hdl.handle.net/10054/8732
ISSN: 0253-4134
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