TY - JOUR

T1 - A computer simulation of the mechanism of self-conservation of gas hydrates

AU - Subbotin, O. S.

AU - Belosludov, V. R.

AU - Brodskaya, E. N.

AU - Piotrovskaya, E. M.

AU - Sizov, V. V.

PY - 2008/8/1

Y1 - 2008/8/1

N2 - Local density profiles and local component pressure profiles were obtained for two model systems containing methane hydrate and ice by molecular dynamics simulation. The ice matrix with methane hydrate clusters inserted into it was shown to be stable at normal pressure and even at a temperature higher than the temperature of methane hydrate dissociation. Calculations showed that the pressure in such a methane hydrate cluster inserted into ice was higher than in the ice phase. There were, however, no strong structure distortions because of the formation of a network of strong hydrogen bonds between the hydrate and ice phases.

AB - Local density profiles and local component pressure profiles were obtained for two model systems containing methane hydrate and ice by molecular dynamics simulation. The ice matrix with methane hydrate clusters inserted into it was shown to be stable at normal pressure and even at a temperature higher than the temperature of methane hydrate dissociation. Calculations showed that the pressure in such a methane hydrate cluster inserted into ice was higher than in the ice phase. There were, however, no strong structure distortions because of the formation of a network of strong hydrogen bonds between the hydrate and ice phases.

UR - http://www.scopus.com/inward/record.url?scp=48249098262&partnerID=8YFLogxK

U2 - 10.1134/S0036024408080116

DO - 10.1134/S0036024408080116

M3 - Article

AN - SCOPUS:48249098262

VL - 82

SP - 1303

EP - 1308

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 8

ER -