Molecular Modeling of Interfacial, Sorptive, and Diffusive Properties of Systems for Carbon Capture and Storage Applications
Type
DissertationAuthors
Yang, Yafan
Advisors
Sun, Shuyu
Committee members
Stenchikov, Georgiy L.
Cavallo, Luigi

Kumar, Arun
Nair, Narayanan
Smit, Berend
Program
Earth Science and EngineeringKAUST Department
Physical Science and Engineering (PSE) DivisionDate
2020-11Permanent link to this record
http://hdl.handle.net/10754/665964
Metadata
Show full item recordAbstract
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-K83F5ae974a485f413a2113503eed53cd6c53
10.25781/KAUST-K83F5