Monte Carlo simulation to investigate the formation of molecular hydrogen and its deuterated forms

Abstract

$H_2$ is the most abundant interstellar species. Its deuterated forms ($HD$ and $D_2$) are also significantly abundant. Huge abundances of these molecules could be explained by considering the chemistry occurring on the interstellar dust. Because of its simplicity, Rate equation method is widely used to study the formation of grain-surface species. However, since recombination efficiency of formation of any surface species are heavily dependent on various physical and chemical parameters, Monte Carlo method would be best method suited to take care of randomness of the processes. We perform Monte Carlo simulation to study the formation of $H_2$, $HD$ and $D_2$ on interstellar ices. Adsorption energies of surface species are the key inputs for the formation of any species on interstellar dusts but binding energies of deuterated species are yet to known with certainty. A zero point energy correction exists between hydrogenated and deuterated species which should be considered while modeling the chemistry on the interstellar dusts. Following some earlier studies, we consider various sets of adsorption energies to study the formation of these species in diverse physical circumstances. As expected, noticeable difference in these two approaches (Rate equation method and Monte Carlo method) is observed for production of these simple molecules on interstellar ices. We introduce two factors, namely, $S_f$ and $\beta$ to explain these discrepancies: $S_f$ is a scaling factor, which could be used to correlate discrepancies between Rate equation and Monte Carlo methods. $\beta$ factor indicates the formation efficiency under various circumstances. Higher values of $\beta$ indicates a lower production efficiency. We found that $\beta$ increases with a decrease in rate of accretion from gas phase to grain phase.

arXiv comment20 pages, 8 figures, published in New Astronomy

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• Constraints of the formation and abundances of methyl carbamate, a glycine isomer, in hot corinos
• Potential formation of three pyrimidine bases in interstellar regions