Atmospheric Chemistry Program Seminar
Chemistry of peroxy radicals and soot formation at combustion conditions by Prof Sandeep Sharma, CU Boulder, PChem
"In this presentation, I will focus on the chemistry of peroxy radicals and soot formation at combustion conditions. Both these topics are of immense technological importance and will also allow me to present the latest theoretical techniques used to study them. These include the use of automated mechanism generators to build complex reaction mechanisms, the use of transition state theory to calculate rates of elementary reactions, and the use of the semiclassical method for calculating the partition function of anharmonic vibrational modes. The aim is to physically motivate these techniques and highlight the conditions under which we expect them to be predictive and also discuss their shortcomings. I will end the presentation with a short review of the latest work from my group that aims to address some of the shortcomings."