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|Title: ||The pervasive solvent-separated sodium chloride ion pair in water-DMSO mixtures|
|Authors: ||DAS, AK|
|Keywords: ||constrained molecular-dynamics|
|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.|
|Appears in Collections:||Article|
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