Formation of water and methanol in star forming molecular clouds

TL;DR

This study uses Monte Carlo simulations to analyze how grain surface properties, binding energies, and gas conditions influence the formation of water and methanol in star-forming molecular clouds, highlighting the importance of grain chemistry parameters.

Contribution

It introduces an effective grain surface area concept and compares detailed Monte Carlo results with rate equation models for molecular formation in space.

Findings

Formation rates depend strongly on binding energies.

Effective grain surface area significantly influences chemical reactions.

Results align with observed molecular abundances in molecular clouds.

Abstract

We study the formation of water and methanol in the dense cloud conditions to find the dependence of its production rate on the binding energies, reaction mechanisms, temperatures, and grain site number. We wish to find the effective grain surface area available for chemical reaction and the effective recombination timescales as functions of grain and gas parameters. We used a Monte Carlo simulation to follow the chemical processes occurring on the grain surface. We find that the formation rate of various molecules is strongly dependent on the binding energies. When the binding energies are high, it is very difficult to produce significant amounts of the molecular species. Instead, the grain is found to be full of atomic species. The production rates are found to depend on the number density in the gas phase. We show that the concept of the effective grain surface area, which we introduced in our earlier work, plays a significant role in grain chemistry. We compute the abundance of water and methanol and show that the results strongly depend on the density and composition in the gas phase, as well as various grain parameters. In the rate equation, it is generally assumed that the recombination efficiencies are independent of the grain parameters, and the surface coverage. Presently, our computed parameter $\alpha$ for each product is found to depend on the accretion rate, the grain parameters and the surface coverage of the grain. We compare our results obtained from the rate equation and the one from the effective rate equation, which includes $\alpha$. At the end we compare our results with the observed abundances.