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2015 Spring Symposium on Undergraduate Research and Community... has ended
Wednesday, April 22 • 2:30pm - 4:30pm
Rate Determination of 1,1 vs.1,2-HCl Elimination from 1,1-Dichloropropane

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Hydrochlorofluorocarbons (HCFCs) have become ubiquitous in the chemical industry and in many commercial operations since they replaced chlorofluorocarbons. The Montreal Protocol requires HCFCs to be phased out by 2030 worldwide. Therefore HCFCs need to be discarded and destroyed or converted into useful feedstock. Methods to destroy HCFCs include pyrolysis, combustion, incineration, catalytic destruction, and hydrolysis. Converting HCFCs into feedstock is the preferred method because HCFCs contain valuable C-F bond that are manufactured at high costs. Computational models have been developed to evaluate the synthetic utility of potential conversion processes of halocarbons to commercially feasible materials. However, for these calculations of complex kinetic schemes to be reliable, accurate kinetic parameters are needed for all decomposition pathways available to HCFCs. Degradation mechanisms of HCFCs include: interchange, stabilization and elimination (1,1 HX and 1,2 HX). The 1,1-HX elimination pathway has not been widely studied. Therefore the ratio in which each elimination reaction contributes to the formation of a carbene is unknown for most HCFCs. A better understanding of the degradation pathways will allow computational models of converting HCFCs into chemical feedstock to be more reliable. This research focuses on the model compound 1,1-dichloropropane and will determine ratios of the molecule’s degradation pathways. Preliminary data has shown that the 1,2 HCl elimination pathway generates more carbene by 5 fold for the cis isomer and 8 fold for the trans isomer, when compared against the 1,1-HCl elimination pathway. In addition, the rate for the formation of cis-1,dichloropropene in both pathways is greater than the rate of formation of trans-1,dichloropropene.

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Wednesday April 22, 2015 2:30pm - 4:30pm
Wilma Sherrill Center Grimes Atrium

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