Monte Carlo simulations of H2 formation on stochastically heated grains
  Continuous-time, random-walk Monte Carlo simulations of H2 formation on grains have been performed for surfaces that are stochastically heated by photons. We have assumed diffuse cloud conditions and used a variety of grains of varying roughness and size based on olivine. The simulations were performed at different optical depths. We confirmed that small grains (r <= 0.02 micron) have low modal temperatures with strong fluctuations, which have a large effect on the efficiency of the formation of molecular hydrogen. The grain size distribution highly favours small grains and therefore H2 formation on these particles makes a large contribution to the overall formation rate for all but the roughest surfaces. We find that at A_V=0 only the roughest surfaces can produce the required amount of molecular hydrogen, but by A_V=1, smoother surfaces are possible alternatives. Use of a larger value for the evaporation energy of atomic hydrogen, but one still consistent with experiment, allows smoother surfaces to produce more H2. 
H. M. Cuppen, O. Morata and Eric Herbst (The Ohio State University,   Columbus, OH, USA)