1 / 1

Major breakthroughs:

Explore diffusion coefficients and equilibrium data for hydrogen, carbon monoxide, and carbon dioxide through Decadodecasil 3R. Discover H2's higher permeance and selectivity over CO and CO2. Research driven by optimization, molecular dynamics, and Monte Carlo software.

peggy
Download Presentation

Major breakthroughs:

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  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.

More Related