DOI

Clusters of water with various (charged and neutral) solute particles were simulated by molecular dynamics, and the radial profiles of local density, energy, electric potential, normal pressure, and polarization were obtained. The work of cluster formation was calculated. In the basis of an estimate of the surface potential for the vacuum-liquid and liquid-solid interfaces, the linear contribution of the ion charge to the chemical work of solvation was determined. In the case of the K+ ion, the linear contribution to the total work of solvation proved to be practically negligible.

Язык оригиналаанглийский
Страницы (с-по)701-707
Число страниц7
ЖурналMolecular Physics
Том97
Номер выпуска5
DOI
СостояниеОпубликовано - 1999

    Предметные области Scopus

  • Биофизика
  • Молекулярная биология
  • Физика конденсатов
  • Физическая и теоретическая химия

ID: 95719144