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TRiO Ronald E. McNair Post Baccalaureate Achievement Program
Welcome to the Ronald E. McNair Post Baccalaureate Achievement Program
Melissa Rhodehouse is a junior majoring in Chemistry with a minor in Mathematics at Eastern Washington University. Melissa became interested in chemistry and mathematics when she was in high school, where she graduated top ten in her class. In her spare time Melissa loves playing tennis and is President of Eastern Washington University’s Tennis Club. As a first generation college student Melissa values education and is grateful for the opportunities she has been given.
Summer 2012 McNair Internship Faculty Research Mentor: Dr. Yao Houndonougbo, EWU Chemistry and BiochemistryAbstract:
Molecular Simulation of Adsorption Separation of CH4/CO2 in Zeolitic Imidazolate Frameworks
Rhodehouse, Melissa (Dr. Yao Houndonougbo), Chemistry and Biochemistry, Eastern Washingoton University, Washington
A series of five zeolitic imidazolate frameworks (ZIFs) with five different 4,5-functionalized imidazole units, namely ZIF-25, -71, -93, -96, -97 with RHO topologies are explored for their uptake of carbon dioxide and methane. Grand Conical Monte Carlo simulations will be used to calculate the uptake capacity of these gases for each ZIF and the results will be used to determine suitable Force Field parameters that accurately model experimental adsorption data. The Force Field parameters will be further used to simulate adsorption of mixtures of carbon dioxide and methane of varying concentrations. The results will help screen ZIF materials for their use in carbon dioxide and methane adsorption and separation.