The process of H2 formation on dust grains is the first step in the increase in chemical complexity leading to the multitude of molecules revealed by the latest generation of telescopes. It controls the transition from atomic to molecular gas and the resulting molecular chemistry through the central role of H2 in the chemical network. The formation rate in a diffuse medium has been inferred from Copernicus and FUSE observations ([1],[2]). Observations of H2 emission in PDRs by ISO and Spitzer ([3],[4]) revealed efficient formation on warm grains, while experimental studies showed the Langmuir-Hinshelwood mechanism to be efficient only in a limited range of low grain temperatures. Mechanisms involving chemisorbed atoms have been proposed to overcome this contradiction, for instance the Eley-Rideal mechanism ([5]).
As the smallest grains dominate the total available dust surface in the gas ([6]), they are the main actors in H2 formation. But small dust grains in unshielded environments like PDRs are known to undergo strong temperature fluctuations due to UV photon absorption. A constant grain temperature can thus not be assumed when computing H2 formation rates in such environments.
I will present a comprehensive computation of the H2 formation rate that includes fluctuating dust temperatures, using a master equation approach to compute the grain temperature distribution and the resulting average formation rate. For the first time, we show that grain temperature fluctuations make the Langmuir-Hinshelwood mechanism surprisingly efficient at the edge of PDRs (comparable to the Eley-Rideal efficiency), since fluctuating grains spend most of their time below their average temperature.
This computation of the formation rate, including the full treatment of temperature fluctuations and an up-to-date micro-physical model, is implemented in full cloud simulations with the Meudon PDR Code. I will present how this new formalism impacts cloud structure and chemistry, and analyse the variation of formation efficiency with astrophysical conditions (gas density, temperature, ambient radiation field).
[1] Jura, M. 1974, ApJ, 191, 375
[2] Gry, C., Boulanger, F., Nehmé, C., Pineau des Forêts, G., Habart, E., Falgarone, E. 2002, A&A, 391, 675
[3] Habart, E., Boulanger, F., Verstraete, L., Walmsley, C. M., Pineau des Forêts, G. 2004, A&A, 414, 531
[4] Habart, E., Abergel, A., Boulanger, F., Joblin, C., Verstraete, L., Compiègne, M., Pineau Des Forêts, G., Le Bourlot, J. 2011, A&A, 527, 122
[5] Le Bourlot, J., Le Petit, F., Pinto, C., Roueff, E., Roy, F. 2012, A&A, 541, id.A76
[6] Compiègne, M., Verstraete, L., Jones, A., Bernard, J.-P., Boulanger, F., Flagey, N., Le Bourlot, J., Paradis, D., Ysard, N. 2011, A&A, 525, id.A103