Abstract
Molecular dynamics simulations were applied to clarify the kinetic pathways and mechanism in the process of methane hydrate formation on the wax crystal surface with ethylene–vinyl acetate copolymer (EVA). The simulation results showed that methane molecules near the surfaces would adsorb on the surfaces of wax-EVA eutectic, while hydrates formed in the bulk of the solution away from the surfaces. The VA side chains on the wax crystal surface inhibit/promote the growth of hydrates by influencing the growth and re-dissolution process of methane nano-bubbles on eutectic surface. When a small amount of VA side chains was introduced on the wax crystal surface, as the simulation proceeded, the generated hydrates would gradually decompose. However, when more VA side chains distribute on the surface of wax crystals, the growth rate of hydrates would increase. In addition, hydrates and wax crystals could connect through a semi-cage structure, in which the VA side chain served as the guest of this semi-cage, making the eutectic and hydrates form a whole and increasing the risk of co-deposition of wax crystals and hydrates.
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