Monte Carlo simulation studies of clathrate hydrates: A review

Ioannis N. Tsimpanogiannis, Ioannis G. Economou

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Clathrate hydrates are encountered in a number of important industrial applications. Therefore, their structural, transport, thermodynamic and kinetic properties are essential for the design of appropriate industrial operations. The calculation of such properties through molecular simulation studies and in particular Monte Carlo simulation methods has been considered an attractive alternative to performing experimental measurements or calculations through mean-field theories. In the current work, such molecular-level studies are extensively reviewed and future needs and possible research directions are identified and suggested.

Original languageEnglish
Pages (from-to)51-60
Number of pages10
JournalJournal of Supercritical Fluids
Volume134
DOIs
Publication statusPublished - Apr 2018

Keywords

  • Clathrate hydrates
  • Monte Carlo simulations
  • Property calculation
  • Review

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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