title: Brine rejection from freezing salt solutions: a molecular dynamics study.
abstract: The atmospherically and technologically very important process of brine rejection from freezing salt solutions is investigated with atomic resolution using molecular dynamics simulations. The present calculations allow us to follow the motion of each water molecule and salt ion and to propose a microscopic mechanism of brine rejection, in which a fluctuation (reduction) of the ion density in the vicinity of the ice front is followed by the growth of a new ice layer. The presence of salt slows down the freezing process, which leads to the formation of an almost neat ice next to a disordered brine layer.
authors.affiliation: Institute of Organic Chemistry and Biochemistry and Center for Biomolecules and Complex Molecular Systems, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic.
authors.forename: Lubos
authors.initials: L
authors.lastname: Vrbka
authors.forename: Pavel
authors.initials: P
authors.lastname: Jungwirth
mesh_terms: D001703:Biophysics / Q000379:methods*; D003198:Computer Simulation; D005615:Freezing; D007053:Ice; D007477:Ions; D009994:Osmolar Concentration; D010100:Oxygen / Q000737:chemistry; D012492:Salts / Q000737:chemistry / Q000494:pharmacology*; D012965:Sodium Chloride / Q000737:chemistry; D012996:Solutions; D013696:Temperature; D013997:Time Factors
chemical_list: D007053:Ice; D007477:Ions; D012492:Salts; D012996:Solutions; C017082:brine; D012965:Sodium Chloride; D010100:Oxygen