Context. Gas phase Elemental abundances in molecular CloudS (GEMS) is an IRAM 30-m Large Program aimed at determining the elemental abundances of carbon (C), oxygen (O), nitrogen (N), and sulfur (S) in a selected set of prototypical star-forming filaments. In particular, the elemental abundance of S remains uncertain by several orders of magnitude, and its determination is one of the most challenging goals of this program. Aims. This paper aims to constrain the sulfur elemental abundance in Taurus, Perseus, and Orion A based on the GEMS molecular database. The selected regions are prototypes of low-mass, intermediate-mass, and high-mass star-forming regions, respectively, providing useful templates for the study of interstellar chemistry. Methods. We have carried out an extensive chemical modeling of the fractional abundances of CO, HCO+, HCN, HNC, CS, SO, H2S, OCS, and HCS+ to determine the sulfur depletion toward the 244 positions in the GEMS database. These positions sample visual extinctions from AV ∼ 3 mag to >50 mag, molecular hydrogen densities ranging from a few × 103 cm3 to 3 × 106 cm3, and Tk ∼ 10-35 K. We investigate the possible relationship between sulfur depletion and the grain charge distribution in different environments. Results. Most of the positions in Taurus and Perseus are best fitted assuming early-time chemistry, t = 0.1 Myr, ζH2 ∼ (0.51) × 1016 s1, and [S/H] ∼ 1.5 × 106. On the contrary, most of the positions in Orion are fitted with t = 1 Myr and ζH2 ∼ 1017 s1. Moreover, ∼40% of the positions in Orion are best fitted assuming the undepleted sulfur abundance, [S/H] ∼ 1.5 × 105. We find a tentative trend of sulfur depletion increasing with density. Conclusions. Our results suggest that sulfur depletion depends on the environment. While the abundances of sulfur-bearing species are consistent with undepleted sulfur in Orion, a depletion factor of ∼20 is required to explain those observed in Taurus and Perseus. We propose that differences in the grain charge distribution might explain these variations. Grains become negatively charged at a visual extinction of AV ∼ 3.5 mag in Taurus and Perseus. At this low visual extinction, the S+ abundance is high, X(S+) > 106, and the electrostatic attraction between S+ and negatively charged grains could contribute to enhance sulfur depletion. In Orion, the net charge of grains remains approximately zero until higher visual extinctions (AV ∼ 5.5 mag), where the abundance of S+ is already low because of the higher densities, thus reducing sulfur accretion. The shocks associated with past and ongoing star formation could also contribute to enhance [S/H].

When studying chemistry of photodissociation regions (PDRs), time dependence becomes important as visual extinction increases, since certain chemical time-scales are comparable to the cloud lifetime. Dust temperature is also a key factor, since it significantly influences gas temperature and mobility on dust grains, determining the chemistry occurring on grain surfaces. We present a study of the dust temperature impact and time effects on the chemistry of different PDRs, using an updated version of theMeijerink PDR code and combining it with the time-dependent code Nahoon. We find the largest temperature effects in the inner regions of highG0 PDRs,where high dust temperatures favour the formation of simple oxygen-bearing molecules (especially that of O₂), while the formation of complex organic molecules is much more efficient at low dust temperatures. We also find that time-dependent effects strongly depend on the PDR type, since long time-scales promote the destruction of oxygen-bearing molecules in the inner parts of low G0 PDRs, while favouring their formation and that of carbon-bearing molecules in high G0 PDRs. From the chemical evolution, we also conclude that, in dense PDRs, CO₂ is a late-forming ice compared to water ice, and confirm a layered ice structure on dust grains, with H₂O in lower layers than CO₂. Regarding steady state, the PDR edge reaches chemical equilibrium at early times (≲10⁵ yr). This time is even shorter (<10⁴ yr) for high G0 PDRs. By contrast, inner regions reach equilibrium much later, especially low G0 PDRs, where steady state is reached at ∼10⁶-10⁷ yr.

The temperature of interstellar dust particles is of great importance to astronomers. It plays a crucial role in the thermodynamics of interstellar clouds, because of the gas-dust collisional coupling. It is also a key parameter in astrochemical studies that governs the rate at which molecules form on dust. In 3D (magneto)hydrodynamic simulations often a simple expression for the dust temperature is adopted, because of computational constraints, while astrochemical modelers tend to keep the dust temperature constant over a large range of parameter space. Our aim is to provide an easy-to-use parametric expression for the dust temperature as a function of visual extinction (A_V) and to shed light on the critical dependencies of the dust temperature on the grain composition. We obtain an expression for the dust temperature by semi-analytically solving the dust thermal balance for different types of grains and compare to a collection of recent observational measurements. We also explore the effect of ices on the dust temperature. Our results show that a mixed carbonaceous-silicate type dust with a high carbon volume fraction matches the observations best. We find that ice formation allows the dust to be warmer by up to 15% at high optical depths (A_V> 20 mag) in the interstellar medium. Our parametric expression for the dust temperature is presented as T_d = [11 + 5.7 × tanh(0.61 - log ₁₀(A_V)]χ_uv ^1/5.9, where χ_uv is in units of the Draine (1978, ApJS, 36, 595) UV field.

Context. The presence of dust can strongly affect the chemical composition of the interstellar medium. We model the chemistry in photodissociation regions (PDRs) using both gas-phase and dust-phase chemical reactions. Aims. Our aim is to determine the chemical compositions of the interstellar medium (gas/dust/ice) in regions with distinct (molecular) gas densities that are exposed to radiation fields with different intensities. Methods. We have significantly improved the Meijerink PDR code by including 3050 new gas-phase chemical reactions and also by implementing surface chemistry. In particular, we have included 117 chemical reactions occurring on grain surfaces covering different processes, such as adsorption, thermal desorption, chemical desorption, two-body reactions, photo processes, and cosmic-ray processes on dust grains. Results. We obtain abundances for different gas and solid species as a function of visual extinction, depending on the density and radiation field. We also analyse the rates of the formation of CO₂ and H₂O ices in different environments. In addition, we study how chemistry is affected by the presence/absence of ice mantles (bare dust or icy dust) and the impact of considering different desorption probabilities. Conclusions. The type of substrate (bare dust or icy dust) and the probability of desorption can significantly alter the chemistry occurring on grain surfaces, leading to differences of several orders of magnitude in the abundances of gas-phase species, such as CO, H₂CO, and CH₃OH. The type of substrate, together with the density and intensity of the radiation field, also determine the threshold extinction to form ices of CO₂ and H₂O. We also conclude that H₂CO and CH₃OH are mainly released into the gas phase of low, far-ultraviolet illuminated PDRs through chemical desorption upon two-body surface reactions, rather than through photodesorption.