EPoS Contribution
EPoS Contribution
Study of stochastic effects in grain surface chemistry with Monte Carlo approach

Anton Vasyunin
Max-Planck-Institut fuer Astronomie, Heidelberg, Germany
We compare deterministic and stochastic approaches to models of grain-surface chemistry in molecular clouds in order to specify under which conditions the stochastic approach is mandatory. We also study the validity of the modified rate approximation. Two distinct cases are considered: (1) the surface mobility of all species is due to thermal hopping, (2) the same but with temperature-independent quantum tunneling for H and H2. The physical conditions in the core and the outer region of the TMC1 cloud are adopted. For the first time realistic time--dependent gas--grain Monte Carlo chemical model of interstellar medium, involving about 5000 gas phase and 200 grain surface reactions, has been developed. We found that at 10~K abundances of many important gaseous and in particular surface molecules are not much affected by stochastic processes. However at higher temperatures discrepancy between stochastic and deterministic models becomes significant. At 30~K gas-phase abundances of H2O, NH3, and CO in the stochastic model differ from those in the deterministic model by up to an order of magnitude. The major result, which is only captured by a stochastic model, is a new catalytic formation route of molecular hydrogen, potentially efficient on warm dust grains with T>20K. We conclude that stochastic effects can have significant impact on chemical evolution of molecular clouds and have to be properly taken into account in theoretical models aimed at interpretation of results obtained with future observational facilities like ALMA and eVLA.