H$_2$ Ortho-Para Spin Conversion on Inhomogeneous Grain Surfaces. II. impact of the rotational energy difference between adsorbed ortho-H$_2$ and para-H$_2$ and implication to deuterium fractionation chemistry

TL;DR

This study examines how the rotational energy difference between ortho- and para-H$_2$ on dust grains influences nuclear spin conversion rates and impacts deuterium chemistry in star-forming regions.

Contribution

It relaxes previous assumptions by varying the rotational energy difference, providing a more accurate rate for nuclear spin conversion on grain surfaces.

Findings

Nuclear spin conversion accelerates H$_2$ OPR evolution.

Deuterium fractionation decreases with faster OPR evolution.

Impact is significant at densities >10$^4$ cm$^{-3}$ and temperatures <16 K.

Abstract

We investigate how the H$_2$ ortho-to-para ratio (OPR) and dueterium fractionation in star-forming regions are affected by nuclear spin conversion (NSC) on dust grains. Particular focus is placed on the rotational energy difference between ortho-H$_2$ (o-H$_2$) and para-H$_2$ (p-H$_2$) on grain surfaces. While the ground state of o-H$_2$ has a higher rotational energy than that of p-H$_2$ by 170.5 K in the gas phase, this energy difference is expected to become smaller on solid surfaces, where interactions between the surface and adsorbed H$_2$ molecules affect their rotational motion. A previous study by Furuya et al. (2019) developed a rigorous formulation of the rate for the temporal variation of the H$_2$ OPR via the NSC on grains, assuming that adsorbed o-H$_2$ has higher rotational energy than adsorbed p-H$_2$ by 170.5 K, as in the gas phase. In this work, we relax the assumption and re-evaluate the rate, varying the rotational energy difference between their ground states. The re-evaluated rate is incorporated into a gas-ice astrochemical model to study the evolution of the H$_2$ OPR and the deuterium fractionation in prestellar cores and the outer, cold regions of protostellar envelopes. The inclusion of the NSC on grains reduces the timescale of the H2 OPR evolution and thus the deuterium fractionation, at densities of >10$^4$ cm$^{-3}$ and temperatures of <14-16 K (depending on the rotational energy difference), when the ionization rate of H$_2$ is 10$^{-17}$ s$^{-1}$.