Om. Shalabiea et Jm. Greenberg, 2 KEY PROCESSES IN DUST GAS CHEMICAL MODELING - PHOTOPROCESSING OF GRAIN MANTLES AND EXPLOSIVE DESORPTION/, Astronomy and astrophysics, 290(1), 1994, pp. 266-278
Two models of the time dependent chemical evolution of stable dense an
d translucent clouds are presented: one for pure gas phase chemistry a
nd the other in which solid grain chemistry is included along with the
gas. Comparing the results using these two schemes for the theoretica
l abundances of certain key molecules shows that including the dust pr
ovides a significantly (often by orders of magnitude) better agreement
with the observations than those derived by pure gas phase chemistry
models. The initial atomic abundances are those given by observations
and are not modified to suit the model. Moreover, the inclusion of gra
in chemistry appears to minimize the effects of uncertainties in some
important gas phase reaction rates, which would otherwise strongly aff
ect the results of pure gas phase models. The grain mantle composition
and gas phase abundances have been investigated using a number of dif
ferent physical assumptions for both dense and translucent cloud model
s, taking into consideration the accretion, photochemical processing a
nd desorption mechanisms involving the dust grains. The use of trigger
ed explosive desorption is critical to providing reasonable steady sta
te abundances. The abundances of H2O, H2CO, CH3OH and NH3 have a parti
cular relevance because they are more abundantly produced in dust than
in the gas. The most abundant observed molecules in grain mantles are
H2O and CO which, under irradiation by ultraviolet light, not only pr
oduce H2CO but the latter can in turn react with water ice producing C
H3OH. The reversible transformation between formaldehyde and methanol
in the dust affects their gas phase abundances in both translucent and
dense clouds. Depth dependent calculations have been performed and it
is found that the effects of solid state photochemical molecular prod
uction in the inner part of a dense cloud are much larger than in the
outer part or in a translucent cloud. In addition to matching observed
gas phase abundances with theory we emphasize the constraint provided
by the grain mantle composition.