Molecular dynamics simulation of microscopic ice particles containing Ca 2+, F , Cl , Na +, and Li + ions has been performed in the temperature range of 20–200 K. For all the systems under consideration, phase and structural transformations accompanying their heating have been studied in detail, and the melting points have been determined. The main attention has been focused on the determination of the mechanisms of the effect of ions on the phase state of microcrystals.

Original languageEnglish
Pages (from-to)484-491
JournalColloid Journal
Volume80
Issue number5
DOIs
StatePublished - 1 Sep 2018

    Research areas

  • ions, melting, Atomic ions, Effect of ions, Ice particles, molecular dynamics simulations, Phase state, structural transformation, Temperature range, molecular dynamics

    Scopus subject areas

  • Surfaces and Interfaces
  • Physical and Theoretical Chemistry
  • Colloid and Surface Chemistry

ID: 33848329