Total Collision Energy model for surface processes in the DSMC method
Yevgeniy A. Bondar, Alexandra N. Molchanova
Abstract
The total collision energy (TCE) approach originally developed for taking into account gas-phase chemistry in the direct simulation Monte Carlo method is applied to surface chemistry modeling. In the proposed surface TCE (sTCE) model probability of the impact process as a function of the translational energy of the molecule is found analytically from the finite-rate Arrhenius data. This probability function lacks some mathematical drawbacks typical of previous models. Effects of surface temperature, incident angle and internal energy can be taken into account in the sTCE model. Additionally the model is generalized to the specified reaction efficiency formulation.
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