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Major breakthroughs:

Molecular Dynamics Analysis of Water Gas Shift Products Through DD3R Anthony J. Huth, Graduate student, Department of Chemical and Materials Engineering Advisor: Prof. Vadim V. Guliants, University of Cincinnati. Technical accomplishments:

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Major breakthroughs:

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  1. Molecular Dynamics Analysis of Water Gas Shift Products Through DD3RAnthony J. Huth, Graduate student, Department of Chemical and Materials EngineeringAdvisor: Prof. Vadim V. Guliants, University of Cincinnati • Technical accomplishments: • Applied optimization, molecular dynamics, and grand canonical Monte Carlo software in determining diffusion coefficients and equilibrium data. Major breakthroughs: Derived permeation and selectivity data for hydrogen, carbon monoxide and carbon dioxide of temperatures and pressures. It was determined that H2 has a greater permeance through Decadodecasil 3R and has a higher selectivity over CO and CO2. • PIRE Activities: • Attended CAMD Summer School • Other Efforts/Outreach: • Established connections with other graduate students using similar software.

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