Issue 19, 2021

Size dependence of the dissociation process of spherical hydrate particles via microsecond molecular dynamics simulations

Abstract

The dissociation process of spherical sII mixed methane–propane hydrate particles in liquid hydrocarbon was investigated via microsecond-long molecular dynamics simulations. A strong dependence of the melting temperature on the particle size was found. Analysis in the context of the Gibbs–Thomson effect provided insights into the fundamental properties of gas hydrates.

Graphical abstract: Size dependence of the dissociation process of spherical hydrate particles via microsecond molecular dynamics simulations

Supplementary files

Article information

Article type
Communication
Submitted
19 mar 2021
Accepted
28 apr 2021
First published
28 apr 2021

Phys. Chem. Chem. Phys., 2021,23, 11180-11185

Size dependence of the dissociation process of spherical hydrate particles via microsecond molecular dynamics simulations

S. Mohr, R. Pétuya, J. Wylde, J. Sarria, N. Purkayastha, Z. Ward, S. Bodnar and I. N. Tsimpanogiannis, Phys. Chem. Chem. Phys., 2021, 23, 11180 DOI: 10.1039/D1CP01223A

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