Energy & Fuels · 2022 · 17 citations · 74 references
Natural SciencesChemistryGeologyPhysical ChemistryReservoir SimulationSurface ScienceGas Hydrate ReservoirsHydrate FormationMineral Surface ChemistryNanoporous MaterialsRock-fluid InteractionsSurface KineticsBubble FormationGas DissociationGas Hydrate DissociationHydrate DissociationHydrate Growth In Porous MediaHydrate KineticsPorous SilicaSalinity Effects On Hydrate Formation
Methane hydrate dissociation kinetics can be inhibited in NaCl solutions; however, this effect is reversed by promoting bubble formation that enhances dissociation. The negative and positive effects of inorganic salt injection on gas production from hydrate-bearing sediments are still controversial. Here, molecular dynamics simulations were performed to investigate the characteristics of NaCl solution invasion into hydrate-occupied nanopores and the effects on the confined hydrate dissociation kinetics. Two initial configurations comprising liquid and silica pore phases were studied with a low or high NaCl concentration, respectively. The results show that, under the simulation conditions, salt invasion decelerated hydrate dissociation within the silica pore as NaCl invasion into the pore is stepwise. Initially, few ions can diffuse into the pore phase, and gas nanobubbles form on the solid surface mainly via confinement and surface effects, independent of NaCl solution invasion. Subsequently, gradual salt diffusion immersed the residual hydrate in the salt solution and hindered hydrate decomposition until the dissociation finished. More ions could diffuse into the pore phase at the high NaCl concentrations with a low diffusion efficiency, leading to surface nanobubble growth toward the residual hydrate and somewhat accelerated hydrate dissociation. This severely hinders the escape of released methane from the pore. This study yields molecular-level insight into the origin of the negative effect of salt invasion on hydrate dissociation, which should be avoided during gas production from hydrate reservoirs with low permeabilities via salt injection combined with thermal stimulation.
74
A smooth particle mesh Ewald method
Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations
Canonical sampling through velocity rescaling
Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text
Natural Sciences, Chemistry, Physics +17