A comparison of $\text{H}_2$ formation models at high redshift

Modelling the molecular gas that is routinely detected through CO observations of high-redshift galaxies constitutes a major challenge for ab initio simulations of galaxy formation. We carry out a suite of cosmological hydrodynamic simulations to compare three approximate methods that have been used in the literature to track the formation and evolution of the simplest and most abundant molecule, H$_2$. Namely, we consider: i) a semi-empirical procedure that associates H$_2$ to dark-matter haloes based on a series of scaling relations inferred from observations, ii) a model that assumes chemical equilibrium between the H$_2$ formation and destruction rates, and iii) a model that fully solves the out-of-equilibrium rate equations and accounts for the unresolved structure of molecular clouds. We study the impact of finite spatial resolution and show that robust H$_2$ masses at redshift $z\approx 4$ can only be obtained for galaxies that are sufficiently metal enriched in which H$_2$ formation is fast. This corresponds to H$_2$ reservoirs with masses $M_{\mathrm{H_2}}\gtrsim 6\times 10^9 \mathrm{M}_\odot$. In this range, equilibrium and non-equilibrium models predict similar molecular masses (but different galaxy morphologies) while the semi-empirical method produces less H$_2$. The star formation rates as well as the stellar and H$_2$ masses of the simulated galaxies are in line with those observed in actual galaxies at similar redshifts that are not massive starbursts. The H$_2$ mass functions extracted from the simulations at $z\approx 4$ agree well with recent observations that only sample the high-mass end. However, our results indicate that most molecular material at high $z$ lies yet undetected in reservoirs with $10^9<M_{\mathrm H_2}<10^{10} \mathrm{M}_\odot$.