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Understanding Gas and Energy Storage in Geological Formations With Molecular Simulations.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Understanding Gas and Energy Storage in Geological Formations With Molecular Simulations./
作者:	Yu, Kai Bin.
面頁冊數:	1 online resource (172 pages)
附註:	Source: Dissertations Abstracts International, Volume: 84-11, Section: B.
Contained By:	Dissertations Abstracts International84-11B.
標題:	Chemical engineering. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30311537click for full text (PQDT)
ISBN:	9798379444693

Understanding Gas and Energy Storage in Geological Formations With Molecular Simulations.
Yu, Kai Bin.

Understanding Gas and Energy Storage in Geological Formations With Molecular Simulations. - 1 online resource (172 pages)

Source: Dissertations Abstracts International, Volume: 84-11, Section: B.

Thesis (Ph.D.)--University of London, University College London (United Kingdom), 2023.

Includes bibliographical references

Methane (CH4), the cleanest burning fossil fuel, has the potential to solve the energy crisis owing to the growing population and geopolitical tensions. Whilst highly calorific, realising its potential requires efficient storage solutions, which are safe and less energy-intensive during production and transportation. On the other hand, carbon dioxide (CO2), the by-product of human activities, exacerbates global heating driving climate change. CH4 is abundant in natural systems, in the form of gas hydrate and trapped gas within geological formations. The primary aim of this project was to learn how Nature could store such a large quantity of CH4 and how we can potentially extract and replace the in-place CH4 with atmospheric CO2, thereby reducing greenhouse gas emissions. We studied this question by applying molecular dynamics (MD) and Monte Carlo (MC) simulation techniques. Such techniques allow us to understand the behaviour of confined fluids, i.e., within the micropores of silica and kerogen matrices. Our simulations showed that CH4 hydrate in confinement could form under milder conditions than required, deviating from the typical methane-water phase diagram, complementing experimental observations. This research can contribute to artificial gas hydrate production via porous materials for gas storage. Besides that, the creation of 3D kerogen models via simulated annealing has enabled us to understand how maturity level affects the structural heterogeneity of the matrices and, ultimately CH4 diffusion. Immature and overmature kerogen types were identified to having fast CH4 diffusion. Subsequently, our proof-of-concept study demonstrated the feasibility of recovering CH4 via supercritical CO2 injection into kerogens. Insights from our study also explained why full recovery of CH4 is impossible. A pseudo-second-order rate law can predict the kinetics of such a process and the replacement quantity. A higher CO2 input required than the CH4 recovered highlights the possibility of achieving a netzero future via geological CO2 sequestration.

Electronic reproduction.
Ann Arbor, Mich. :
ProQuest,
2023

Mode of access: World Wide Web

ISBN: 9798379444693Subjects--Topical Terms:

560457
Chemical engineering.
Subjects--Index Terms:

GasIndex Terms--Genre/Form:

542853
Electronic books.

Understanding Gas and Energy Storage in Geological Formations With Molecular Simulations.
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520 $a Methane (CH4), the cleanest burning fossil fuel, has the potential to solve the energy crisis owing to the growing population and geopolitical tensions. Whilst highly calorific, realising its potential requires efficient storage solutions, which are safe and less energy-intensive during production and transportation. On the other hand, carbon dioxide (CO2), the by-product of human activities, exacerbates global heating driving climate change. CH4 is abundant in natural systems, in the form of gas hydrate and trapped gas within geological formations. The primary aim of this project was to learn how Nature could store such a large quantity of CH4 and how we can potentially extract and replace the in-place CH4 with atmospheric CO2, thereby reducing greenhouse gas emissions. We studied this question by applying molecular dynamics (MD) and Monte Carlo (MC) simulation techniques. Such techniques allow us to understand the behaviour of confined fluids, i.e., within the micropores of silica and kerogen matrices. Our simulations showed that CH4 hydrate in confinement could form under milder conditions than required, deviating from the typical methane-water phase diagram, complementing experimental observations. This research can contribute to artificial gas hydrate production via porous materials for gas storage. Besides that, the creation of 3D kerogen models via simulated annealing has enabled us to understand how maturity level affects the structural heterogeneity of the matrices and, ultimately CH4 diffusion. Immature and overmature kerogen types were identified to having fast CH4 diffusion. Subsequently, our proof-of-concept study demonstrated the feasibility of recovering CH4 via supercritical CO2 injection into kerogens. Insights from our study also explained why full recovery of CH4 is impossible. A pseudo-second-order rate law can predict the kinetics of such a process and the replacement quantity. A higher CO2 input required than the CH4 recovered highlights the possibility of achieving a netzero future via geological CO2 sequestration.
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