Journal of Physical Chemistry B, Vol.110, No.3, 1319-1325, 2006
Energy transfer at a gas-liquid interface: Kinematics in a prototypical system
A detailed characterization of collisional energy transfer at a liquid surface not only provides a framework for the interpretation of experimental studies but also affords insight into energy feedback mechanisms that may be important in multiphase combustion processes. We address this problem by performing simulations of a prototypical Lennard-Jones system, investigating the dependence of the energy transfer and incident-atom trapping probability on the liquid temperature, on the mass and angle of incidence of the impinging atom, and on the strength of the gas-liquid interaction. In general, in agreement with the results of experiments, these calculations point to the dominance of kinematic effects in determining the gross energy transfer, but they also attest to the important role played by surface roughening in the enhancement of energy transfer that accompanies an increase in the liquid temperature.