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.
|Date of Award||Nov 2020|
|Original language||English (US)|
- Physical Science and Engineering
|Supervisor||Shuyu Sun (Supervisor)|