Mechanistic and Kinetic Study of Gas Storage and Transport in Unconventional Reservoirs Using Molecular Simulation

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dc.contributor.advisorQin, Guan
dc.contributor.committeeMemberSoliman, Mohamed Y.
dc.contributor.committeeMemberFarouq Ali, S. M.
dc.contributor.committeeMemberRimer, Jeffrey D.
dc.contributor.committeeMemberThakur, Ganesh C.
dc.contributor.committeeMemberLiu, Hui-Hai
dc.creatorZhang, Kaiyi
dc.date.accessioned2022-06-18T22:31:59Z
dc.date.createdAugust 2021
dc.date.issued2021-08
dc.date.submittedAugust 2021
dc.date.updated2022-06-18T22:32:00Z
dc.description.abstractIn the past decades, exploration and production activities gradually shift to unconventional resources such as tight gas reservoirs. However, the techniques for reservoir simulation and production forecast fail in shale reservoirs due to the distinct behavior of oil and gas in the micropores of the shale formations. Molecular simulation is a strong tool in simulating fluid flow and gas storage in the micropores and can provide us with valuable information for better understanding rock/fluid interactions in those unconventional resources and improve hydrocarbon recovery. Our research mainly focuses on two aspects: first, we study the microscopic mechanisms and kinetics of fluid flow in oil and gas shales and the process of CH4-CO2 exchange method in natural gas hydrates recovery. The fluid transport in shale nanopores shows distinct behavior from that in conventional reservoirs as adsorption plays an important role in nano-scale pore systems. The simulation in natural gas hydrates validates the great potential of using CO2 to replace the CH4 trapped in hydrate cages and temperature can significantly impact the exchange rate. Second, to improve shale hydrocarbon recovery as well as to sequester CO2 for carbon neutrality, we propose to use microporous material as a multi-functional proppant to carry adsorbed CO2 into shale formation and replace the sorbed CH4, such that CH4 recovery can be enhanced and large amount of CO2 can be geologically sequestered. To prove the thermodynamic feasibility of this process, we investigate gas adsorption capacity and the CO2/CH4 selectivity in silicalite and kerogen organic matter. It is shown that both materials have a preference to adsorb CO2 over CH4 and kerogen has a stronger CO2/CH4 selectivity with or without water presence. These findings validate the thermodynamic feasibility of this exchange process. Simulation at microscopic level is very critical in unconventional reservoirs as the transport and storage properties of reservoir fluid in nanopores deviates from those at macroscopic scale. Not only can molecular simulations reveal fundamental information about the behavior of oil and gas molecules in confined spaces, but also can they help study the potential approaches for enhanced hydrocarbon recovery from the unconventional resources and lay the foundation for numerical simulation and prediction at larger scales.
dc.description.departmentPetroleum Engineering, Department of
dc.format.digitalOriginborn digital
dc.format.mimetypeapplication/pdf
dc.identifier.citationPortions of this document appear in: Y. Ning, K. Zhang, S. He, T. Chen, H. Wang, G. Qin, "Numerical Modeling of Gas Transport in Shales to Estimate Rock and Fluid Properties Based on Multiscale Digital Rocks." in: 10th Int. Conf. Appl. Energy-ICAE2018, 2018: pp. 1–6; and in: K. Zhang, H. Jiang, G. Qin, "Utilization of Zeolite as a Potential Multi-functional Proppant for CO2 Enhanced Shale Gas Recovery and CO2 Sequestration: A Molecular Simulation Study on the Competitive Adsorption of CH4 and CO2 in Zeolite and Organic matter." Fuel. 249 (2019) 119–129. doi: 10.1016/j.fuel.2019.03.061; and in: Zhang, K., Jiang, H., Qin, G. "Utilization of zeolite as a potential multi-functional proppant for CO2 enhanced shale gas recovery and CO2 sequestration: A molecular simulation study of the impact of water on adsorption in zeolite and organic matter." Fuel, Volume 292, May 2021, Pages 119–129; and in: Zhang K, Qin G. "Mechanistic and Kinetic Study of CO2-CH4 Exchange Process in Methane Hydrates Using Molecular Dynamics Simulation." Presented in 81st EAGE Conference & Exhibition 2019 in London.
dc.identifier.urihttps://hdl.handle.net/10657/9366
dc.language.isoeng
dc.rightsThe author of this work is the copyright owner. UH Libraries and the Texas Digital Library have their permission to store and provide access to this work. UH Libraries has secured permission to reproduce any and all previously published materials contained in the work. Further transmission, reproduction, or presentation of this work is prohibited except with permission of the author(s).
dc.subjectUnconventional resources
dc.subjectmolecular simulation
dc.subjectgas transport and storage
dc.subjectCO2 sequestration
dc.subjectCO2 enhanced gas recovery
dc.titleMechanistic and Kinetic Study of Gas Storage and Transport in Unconventional Reservoirs Using Molecular Simulation
dc.type.dcmiText
dc.type.genreThesis
dcterms.accessRightsThe full text of this item is not available at this time because the student has placed this item under an embargo for a period of time. The Libraries are not authorized to provide a copy of this work during the embargo period.
local.embargo.lift2023-08-01
local.embargo.terms2023-08-01
thesis.degree.collegeCullen College of Engineering
thesis.degree.departmentPetroleum Engineering, Department of
thesis.degree.disciplinePetroleum Engineering
thesis.degree.grantorUniversity of Houston
thesis.degree.levelDoctoral
thesis.degree.nameDoctor of Philosophy

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