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Physics and Astronomy Thesis Defense – Yao An

March 23, 2021 @ 3:00 pm - 5:00 pm

UNC-CH Physics and Astronomy Thesis Defense

Yao An

“In situ NMR Investigation of Molecular Adsorption and Kinetics: Metal-Organic Frameworks, Hydrophobic and Hydrophilic Surfaces, and Shales”

Thermodynamic and kinetic properties of molecular adsorption and transport in porous media such as metal-organic frameworks (MOFs) and on the material surfaces are crucially important for many applications, including gas adsorption, filtration, and remediation of harmful chemicals. Using the in-situ 1H nuclear magnetic resonance (NMR) isotherm technique, we measured macroscopic thermodynamic and kinetic properties such as isotherms and rates of mass transfer while simultaneously obtaining microscopic information revealed by adsorbed molecules via NMR. Upon investigating isopropyl alcohol and water adsorption in MOFs, rocks, and silica by in situ NMR, we obtained separate isotherms for molecules adsorbed at distinct environments exhibiting distinct NMR characteristics. We also investigate the thermodynamic and kinetic properties of the simulants of the chemical warfare agents, which provides insight for the application of decontamination. The experimental results are elucidated by Ab initio, Molecular Dynamic, and Monte Carlo simulations.

The defense will take place remotely via Zoom: https://unc.zoom.us/j/96203020022?pwd=U2ZhWUJUaTVqNFl3MGZwcXFLY3FDZz09

Details

Date:
March 23, 2021
Time:
3:00 pm - 5:00 pm