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Hybrid versus global thermostatting in molecular-dynamics simulation of methane-hydrate crystallisation

Chinese Journal of Chemical Engineering 2019年第9期27卷 2180-2188页

作者： Niall J.English mohammad reza ghaani School of Chemical and Bioprocess Engineering University College Dublin

Molecular-dynamics(MD)simulations have been performed for the growth of a spherical methane-hydrate nano-crystallite,surrounded by a supersaturated water–methane liquid phase,using both a hybrid and globalsystem thermostatting *** was found that hybrid thermostatting led to more sluggish growth and the establishment of a radial temperature profile about the spherical hydrate crystallite,in which the growing crystal phase is at a higher temperature than the surrounding liquid phase in the interfacial region,owing to latent-heat *** addition,Onsager’s-hypothesis fluctuation–dissipation analysis of fluctuations in the number of crystal-state water molecules at the interface shows slower growth.

关键词： Molecular dynamics Clathrate hydrates Crystallisation Thermostatting Radial temperature profile Fluctuation–dissipation

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Microbial stabilisation and kinetic enhancement of marine methane hydrates in both deionised-and sea-water

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Petroleum 2021年第4期7卷 402-406页

作者： mohammad reza ghaani Jonathan M.Young Prithwish K.Nandi Shamsudeen Dandare Christopher C.RAllen Niall J.English School of Chemical and Bioprocess Engineering University College DublinBelfieldDublin 4Ireland School of Biological Sciences Queen's University BelfastUniversity RoadBelfastBT71NNNorthern IrelandUK

The large quantity of marine methane hydrates has driven substantial interest in methane-gas-fuel potential,especially with the qualified success of Shensu(2017)and Nankai-Trough(2014&17)production trials via depressurisation(blighted ultimately by sanding out),building on an earlier Malik-2008 trial for permafrost-bound *** particular,obviating deep-water-drilling approaches,such as the MeBO production rig(without such a drill bit),together with blowout preventers,constitutes a tantalising cost-saving *** means of addressing sand production by customised gravel packs,wellbore screens and slotted liners with from-seafloor drilling will be expected to lead to future production-trial ***,despite these exciting engineering advances and a few marinemimicking laboratory studies of methane-hydrate kinetics and stabilisation from microbial perspectives,relatively little is known about the thermogenic or microbial origin of marine hydrates,nor their possible formation kinetics or potential stabilisation by microbial sources as an exponent of Gaia's hypothesis,or within the context of“Gaia's breath”as regards global methane‘exhalations’.Here,for the first time,we elucidate the methylotrophic-microbial basis for kinetic enhancement and stabilisation of marine-hydrate formation in both deionised-and sea-water,identifying the key protein at play,which has some similarity to porins in other methylotrophic *** so doing,we suggest such phenomena in marine hydrates as evidence of Gaia's hypothesis.

关键词： Gas hydrate Microbes Methylotrophs

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