%A WAN Li-Hua, YA Ke-Feng, LI Xiao-Sen, FAN Shuan-Shi %T Molecular Dynamics Simulation of Methane Hydrate Dissociation Process in the Presence of Thermodynamic Inhibitor %0 Journal Article %D 2009 %J Acta Physico-Chimica Sinica %R 10.3866/PKU.WHXB20090315 %P 486-494 %V 25 %N 03 %U {http://www.whxb.pku.edu.cn/CN/abstract/article_21273.shtml} %8 2009-03-02 %X

The dissociation of methane hydrate in the presence of ethylene glycol (11.45 mol·L-1) at 277.0 K was studied using canonical ensemble (NVT) molecular dynamics simulations. Results show that hydrate dissociation starts from the surface layer of the solid hydrate and then gradually expands to the internal layer. Thus, the solid structure gradually shrinks until it disappears. A distortion of the hydrate lattice structure occurs first and then the hydrate evolves from a fractured frame to a fractional fragment. Finally, water molecules in the hydrate construction exist in the liquid state. The inner dissociating layer is, additionally, coated by a liquid film formed from outer dissociated water molecules outside. This film inhibits the mass transfer performance of the inner molecules during the hydrate dissociation process.