Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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 оригинала | английский |
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Страницы (с-по) | 701-707 |
Число страниц | 7 |
Журнал | Molecular Physics |
Том | 97 |
Номер выпуска | 5 |
DOI | |
Состояние | Опубликовано - 1999 |
ID: 95719144