Monte Carlo simulation studies of clathrate hydrates: A review
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© 2017 Elsevier B.V. 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.
author list (cited authors)
Tsimpanogiannis, I. N., & Economou, I. G.