S. J. Sibener

Apr 10, 2023 | dx.doi.org | Michelle R. Brann |Xinyou Ma |S. J. Sibener |de Bergh

We employ molecular dynamics simulations to understand the energy transfer processes involved during the collisions of CH4 and CD4 with CH4 layered surfaces at 20 K in order to explain our experimental finding of preferential adsorption of CD4 compared to CH4. There is good agreement between our MD simulations and our experimental results.