DOI

Clusters of the TIP4P water model with 125 and 256 molecules and with the K+ or K ions were simulated by the molecular dynamics method. The radial profiles of local density, energy, normal pressure and molecular orientation were obtained. The work of cluster formation was calculated from the normal pressure profile. The results for the TIP4P and SPC/E model of water are discussed in comparison with each other. A divergence in behaviour of water molecules in the two models was discovered.

Язык оригиналаанглийский
Страницы (с-по)1495-1500
Число страниц6
ЖурналMolecular Physics
Том101
Номер выпуска10
DOI
СостояниеОпубликовано - мая 2003

    Предметные области Scopus

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

ID: 95702460