A New and Simple Approach to Determine the Abundance of Hydrogen Molecules on Interstellar Ice Mantles

TL;DR

This paper introduces a simple numerical method called encounter desorption for accurately estimating hydrogen molecule abundance on icy interstellar dust mantles within rate-equation models, aligning well with microscopic Monte Carlo results.

Contribution

The paper presents a novel, computationally efficient approach to incorporate encounter desorption into rate-equation models, improving hydrogen molecule abundance predictions on interstellar ice mantles.

Findings

The method accurately reproduces Monte Carlo results for H2 coverage.

It is effective in dense, cold, and dynamic astrophysical environments.

The approach is computationally inexpensive and suitable for complex simulations.

Abstract

Water is usually the main component of ice mantles, which cover the cores of dust grains in cold portions of dense interstellar clouds. When molecular hydrogen is adsorbed onto an icy mantle through physisorption, a common assumption in gas-grain rate equation models is to use an adsorption energy for molecular hydrogen on a pure water substrate. However, at high density and low temperature, when H2 is efficiently adsorbed onto the mantle, its surface abundance can be strongly overestimated if this assumption is still used. Unfortunately, the more detailed microscopic Monte Carlo treatment cannot be used to study the abundance of H2 in ice mantles if a full gas-grain network is utilized. We present a numerical method adapted for rate-equation models that takes into account the possibility that an H2 molecule can, while diffusing on the surface, find itself bound to another hydrogen molecule, with a far weaker bond than the H2-water bond, which can lead to more efficient desorption. We label the ensuing desorption "encounter desorption". The method is implemented first in a simple system consisting only of hydrogen molecules at steady state between gas and dust using the rate-equation approach and comparing the results with the results of a microscopic Monte Carlo calculation. We then discuss the use of the rate-equation approach with encounter desorption embedded in a complete gas-grain chemical network. For both systems, the rate-equation model with encounter desorption reproduces the H2 granular coverage computed by the microscopic Monte Carlo model. The method is especially useful for dense and cold environments, and for time-dependent physical conditions, such as occur in the collapse of dense cores and the formation of protoplanetary disks. It is not significantly CPU time consuming, so can be used for example with complex 3D chemical-hydrodynamical simulations.