Siddharth Iyer

Hi Struan, Thanks a lot for taking the time to look into this! While it is not ideal that we don't know the reason for this odd behavior yet, I'm glad that the result from your correct simulation is qualitatively similar to the one from mine (that we get some appreciable yield of RB1-RO2). I can work with the persistent odd behavior of CB-RO2 as the yield seems to be negligible. I'll definitely try the MESMER 6.0 development build for now. Best regards, Siddharth

Hi, I have been using MESMER for simulating further reactions of activated products. The particular reaction of interest is the O2 addition to an alkyl radical, forming a peroxy radical. I want to findout the fraction of this peroxy radical formed, and I therefore assign it as a "sink". However, the fraction of this peroxy radical appears to go down at a later simulation time. This is weird as the sink formation should be irreversible, right? I have attached my input and output files. Thanks a lot!...