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    Molecular Modeling of Interfacial, Sorptive, and Diffusive Properties of Systems for Carbon Capture and Storage Applications

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    Type
    Dissertation
    Authors
    Yang, Yafan cc
    Advisors
    Sun, Shuyu cc
    Committee members
    Stenchikov, Georgiy L. cc
    Cavallo, Luigi cc
    Kumar, Arun
    Nair, Narayanan
    Smit, Berend
    Program
    Earth Science and Engineering
    KAUST Department
    Physical Science and Engineering (PSE) Division
    Date
    2020-11
    Permanent link to this record
    http://hdl.handle.net/10754/665964
    
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    Abstract
    Carbon capture and storage has been considered as a promising way to mitigate global warming by reducing greenhouse gas emissions. Understanding of the interfacial, sorptive, and diffusive properties of related systems are of significant importance. For example, interfacial tension controls the capillary forces in the caprock, which act to avoid upward migration of the stored fluid and play an important role in related enhanced oil recovery processes. The optimal design of many carbon capture and storage processes requires understanding the properties of porous media, e.g., clay and kerogen. The capability of porous media for storing carbon dioxide depends on its adsorption properties, while the separation timescale of porous media for capturing carbon dioxide can be dictated by their transport properties. The objective of this dissertation is to enhance the understanding of the processes mentioned above. Molecular simulation techniques and theoretical methods are applied in this dissertation to gain molecular insights on three types of relevant systems: fluid mixtures, fluids in amorphous porous media, and fluids in ordered porous media.
    Citation
    Yang, Y. (2020). Molecular Modeling of Interfacial, Sorptive, and Diffusive Properties of Systems for Carbon Capture and Storage Applications. KAUST Research Repository. https://doi.org/10.25781/KAUST-K83F5
    DOI
    10.25781/KAUST-K83F5
    ae974a485f413a2113503eed53cd6c53
    10.25781/KAUST-K83F5
    Scopus Count
    Collections
    Dissertations; Physical Science and Engineering (PSE) Division; Earth Science and Engineering Program

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