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We present synthetic line observations of a simulated molecular cloud, utilizing a self-consistent treatment of the dynamics and time-dependent chemical evolution. We investigate line emission from the three most common CO isotopologues (12CO, 13CO, C18O) and six supposed tracers of dense gas (NH3, HCN, N2H+, HCO+, CS, HNC). Our simulation produces a range of line intensities consistent with that observed in real molecular clouds. The HCN-to-CO intensity ratio is relatively invariant with column density, making HCN (and chemically similar species such as CS) a poor tracer of high-density material in the cloud. The ratio of N2H+ to HCN or CO, on the other hand, is highly selective of regions with densities above |$10^{22} \, {\rm cm}^{-2}$|⁠ , and the N2H+ line is a very good tracer of the dynamics of high volume density (⁠|$\gt 10^4 \, {\rm cm}^{-3}$|⁠) material. Focusing on cores formed within the simulated cloud, we find good agreement with the line intensities of an observational sample of prestellar cores, including reproducing observed CS line intensities with an undepleted elemental abundance of sulphur. However, agreement between cores formed in the simulation, and models of isolated cores which have otherwise-comparable properties, is poor. The formation from and interaction with the large-scale environment has a significant impact on the line emission properties of the cores, making isolated models unsuitable for interpreting observational data. [ABSTRACT FROM AUTHOR]

Star formation activity in molecular clouds is often found to be correlated with the amount of material above a column density threshold of |${\sim} 10^{22} \, {\rm cm}^{-2}$|⁠. Attempts to connect this column density threshold to a volume density above which star formation can occur are limited by the fact that the volume density of gas is difficult to reliably measure from observations. We post-process hydrodynamical simulations of molecular clouds with a time-dependent chemical network, and investigate the connection between commonly observed molecular species and star formation activity. We find that many molecules widely assumed to specifically trace the dense, star-forming component of molecular clouds (e.g. HCN, HCO+, CS) actually also exist in substantial quantities in material only transiently enhanced in density, which will eventually return to a more diffuse state without forming any stars. By contrast, N2H+ only exists in detectable quantities above a volume density of |$10^4 \, {\rm cm}^{-3}$|⁠ , the point at which CO, which reacts destructively with N2H+, begins to deplete out of the gas phase on to grain surfaces. This density threshold for detectable quantities of N2H+ corresponds very closely to the volume density at which gas becomes irreversibly gravitationally bound in the simulations: the material traced by N2H+ never reverts to lower densities, and quiescent regions of molecular clouds with visible N2H+ emission are destined to eventually form stars. The N2H+ line intensity is likely to directly correlate with the star formation rate averaged over time-scales of around a Myr. [ABSTRACT FROM AUTHOR]

Much of what we know about molecular clouds, and by extension star formation, comes from molecular line observations. Interpreting these correctly requires knowledge of the underlying molecular abundances. Simulations of molecular clouds typically only model species that are important for the gas thermodynamics, which tend to be poor tracers of the denser material where stars form. We construct a framework for post-processing these simulations with a full time-dependent chemical network, allowing us to model the behaviour of observationally important species not present in the reduced network used for the thermodynamics. We use this to investigate the chemical evolution of molecular gas under realistic physical conditions. We find that molecules can be divided into those that reach peak abundances at moderate densities (⁠|$10^3 \, {\rm cm}^{-3}$|⁠) and decline sharply thereafter (such as CO and HCN), and those that peak at higher densities and then remain roughly constant (e.g. NH3, N2H+). Evolving the chemistry with physical properties held constant at their final values results in a significant overestimation of gas-phase abundances for all molecules, and does not capture the drastic variations in abundance caused by different evolutionary histories. The dynamical evolution of molecular gas cannot be neglected when modelling its chemistry. [ABSTRACT FROM AUTHOR]