ISSN:
1572-9567
Keywords:
aqueous solutions
;
hydrogen bonding
;
ion pairing
;
molecular simulation
;
solute-induced effects
;
solvation
;
supercritical water
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract We review molecular dynamics simulations of infinitely dilute supercritical aqueous NaCl solutions to determine the solvation structure and the soluteinduced effect on water water hydrogen bonding and report new simulation results On the extent of the ion pairing. Our simulation studies indicate that Na+ and Cl ions as a pair or its isolated infinitely dilute ions form strong solvation structures in SCW. even though the water eater hydrogen bonding is not affected Within the context of the models we are using. there is strong indication of a high degree of Na+ CI ion pairing.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01448217
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