Water clusters that condense on ions with different charges were simulated by molecular dynamics techniques. Local density, electric potential, polarization vector, and normal pressure profiles were calculated. The work of cluster formation and surface potentials at vacuum-liquid and solid nucleus-liquid interfaces were estimated. The contribution to the chemical work of solvation linear with respect to ionic charge was determined. For the K+ ion in water, the contribution linear in charge to the total work of solvation was shown to be virtually zero.

Язык оригиналаанглийский
Страницы (с-по)1229-1234
Число страниц6
ЖурналRussian Journal of Physical Chemistry A
Том73
Номер выпуска8
СостояниеОпубликовано - авг 1999

    Предметные области Scopus

  • Физическая и теоретическая химия

ID: 95718841