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.

Original languageEnglish
Pages (from-to)1495-1500
Number of pages6
JournalMolecular Physics
Volume101
Issue number10
DOIs
StatePublished - May 2003

    Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

ID: 95702460