27th Annual Student Research Conference
Predicting Retention Times for Gas Chromatography through Computational Chemistry
Kyle F. Warren
Dr. Vaughan M. Pultz, Faculty Mentor
Retention times for gas chromatography depend primarily on the interaction of a compound with the stationary phase. Since the compounds that we are working with vary in their functional groups, we cannot simply predict retention times based on molar mass or boiling point. To overcome this problem, we are using the Gaussian molecular orbital program to quantify the magnitude of the polarity and polarizability of the compounds. This information will allow us to measure the strength of their interaction with the stationary phase and hence predict retention times.
Keywords: gas chromatography, retention time, computational chemistry
Topic(s):Chemistry
Presentation Type: Oral Paper
Session: 211-4
Location: MG 1000
Time: 10:15