Cooperative Slowdown of Water Rotation near Densely Charged Ions Is Intense but Short-Ranged
نویسندگان
چکیده
منابع مشابه
Cooperative slowdown of water rotation near densely charged ions is intense but short-ranged.
We investigate the reorientation dynamics of water at 300 K in solutions of magnesium sulfate and cesium chloride from classical atomistic molecular dynamics simulations using the "simple water model with four sites and negative Drude polarizability" (SWM4-NDP) and accompanying ion models; for SO4(2-), we derive SWM4-NDP-compatible parameters. Results indicate that pairs of ions have a cooperat...
متن کاملslowdown of water rotation †
The anion-cation interactions are optimized against the experimentally determined solution activity derivative at 2.5 m. This property directly depends on ion-ion interactions, thus making it an excellent target for parameterization. We opt for this indirect approach because directly parameterizing anion-cation interactions from quantum mechanical calculations is not feasible, as described belo...
متن کاملrange supra - additive slowdown of water rotation †
The anion-cation interactions are optimized against the experimentally determined solution activity derivative at 2.5 m. This property directly depends on ion-ion interactions, thus making it an excellent target for parameterization. We opt for this indirect approach because directly parameterizing anion-cation interactions from quantum mechanical calculations is not feasible, as described belo...
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– The relative importance of longand short-ranged forces on the thermal fluctuations at polymer interfaces was investigated with neutron reflection. Polyolefin blends were synthesised to create polymer pairs with a tuned interaction parameter, allowing the exploration of situations from near criticality to strongly immiscible cases in thin-film systems. We have observed for the polymer interfac...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2013
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp4059802