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Filtering by: Creator Chen, Peter Y. S. Contributor Simon, Cory M. Degree Level Bachelor's

Methane Adsorption Simulation Benchmarking in Metal Organic Framework Compounds

Creator:

Khare, Mira M.

Abstract:

Metal Organic Framework Structures (MOFs) have shown great promise for use in gas storage. Computer simulations have been touted as a method to identify strong candidate molecules for experimental research. This project assessed the relationship between computer simulations of methane absorption and experimental gas absorption. We acquired experimental data and...

Resource Type:

Honors College Thesis

Full Text:

ad so rp tio n [L C H 4 at S TP / L M O F] Co-MOF-74 exp Figure 2: Experimental
Modelling Gas Adsorption inside Metal-Organic Frameworks using a Grand-Canonical Monte Carlo Algorithm

Creator:

York, Arthur H.

Abstract:

Metal-organic frameworks are promising novel materials for gas storage and separations because of their extremely high internal surface area and their modular structures based on metal nodes and organic linker molecules. Due to their modular design, it is possible to finely tune a structure for optimal storage of a specific...

Resource Type:

Honors College Thesis

Full Text:

between the parallel vertical lines. Every line is infinitely long in the y direction and they repeat ad