Chemical dynamics simulations of energy transfer in CH4and N2collisions

Sandhiya Lakshmanan, Hyunsik Kim, William L. Hase

Research output: Contribution to journalArticlepeer-review


Chemical dynamics simulations have been performed to study the energy transfer from a hot N2 bath at 1000 K to CH4 fuel at 300 K at different bath densities ranging from 1000 kg m-3 to 30 kg m-3. At higher bath densities, the energy transfer from the bath to the fuel was rapid and as the density was decreased, the energy transfer rate constant decreased. The results show that in combustion systems with CH4 as a prototype fuel, the super pressure regimes control the fuel heating and combustion processes.

Original languageEnglish
Pages (from-to)16173-16178
Number of pages6
JournalRSC Advances
Issue number27
StatePublished - Apr 15 2021


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