Monte Carlo simulation studies of clathrate hydrates: A review Academic Article

abstract

• 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.

authors

• Economou, Ioannis

published proceedings

• JOURNAL OF SUPERCRITICAL FLUIDS

author list (cited authors)

• Tsimpanogiannis, I. N., & Economou, I. G.

citation count

• 20

complete list of authors

• Tsimpanogiannis, Ioannis N||Economou, Ioannis G

publication date

• April 2018

publisher

• Elsevier  Publisher

published in

• Journal of Supercritical Fluids  Journal

keywords

• Clathrate Hydrates
• Monte Carlo Simulations
• Property Calculation
• Review

Digital Object Identifier (DOI)

• 10.1016/j.supflu.2017.12.017

start page

• 51

end page

• 60

volume

• 134

URL

• http://dx.doi.org/10.1016/j.supflu.2017.12.017