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Pressure and Salt Effects in Simulated Water: Two Sides of the Same Coin?
Author(s) -
Holzmann Jörg,
Ludwig Ralf,
Geiger Alfons,
Paschek Dietmar
Publication year - 2007
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200702736
Subject(s) - supercooling , salt (chemistry) , hydrogen bond , molecular dynamics , aqueous solution , chemical physics , chemistry , ion , phase (matter) , thermal , thermodynamics , molecule , computational chemistry , physics , organic chemistry
The “free water” phase in a aqueous salt solution behaves similarly to water under pressure in terms of thermal expansion, dynamics, and local structure. Molecular dynamics simulations reproduce the anomalous properties of water and salt solutions almost quantitatively. Under supercooled conditions solvated ions stabilize the “ high‐density ” configuration of water (see picture; H white, O red, blue: hydrogen bonds).