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Abstract Despite the organic molecule inventory detected in the Orion Kleinmann–Low Nebula (Orion KL), acetaldehyde (CH₃CHO)—one of the most ubiquitous interstellar aldehydes—has not been firmly identified with millimeter-wave interferometry. We analyze extensive Atacama Large Millimeter/submillimeter Array archival data sets (142–355 GHz) to search for acetaldehyde, revealing two distinct acetaldehyde emission peaks and one component with more complex kinematic structures. One peak aligns with MF10/IRc2, where emissions of other O-bearing complex organic molecules are rarely reported, while the other is coincident with the ethanol peak in the southwest region of the hot core. The MF10/IRc2 detection suggests unique chemistry, possibly influenced by repeated heating events. In contrast, codetection with ethanol indicates an ice origin and suggests a potential chemical relationship between the two species. We determine acetaldehyde column densities and kinetic temperatures toward these two peaks under local thermodynamic equilibrium assumptions and compare its distribution with ethanol and other molecules that have an aldehyde (HCO) group, such as methyl formate, glycolaldehyde, and formic acid. Toward the ethanol peak, the observed abundance ratios between HCO-containing species are analyzed using a chemical model. The model suggests two key points: (1) the destruction of ethanol to form acetaldehyde in the ice may contribute to the observed correlation between the two species; and (2) a long cold-collapse timescale and a methyl formate binding energy similar to or lower than water are needed to explain the observations. The relative abundance ratios obtained from the model are highly sensitive to the assumed kinetic temperature, which accounts for the high spatial variability of the aldehyde ratios observed toward Orion KL. 

Context.Recent JWST observations have measured the ice chemical composition towards two highly extinguished background stars, NIR38 and J110621, in the Chamaeleon I molecular cloud. The observed excess of extinction on the long-wavelength side of the H₂O ice band at 3 μm has been attributed to a mixture of CH₃OH with ammonia hydrates NH₃·H₂O), which suggests that CH₃OH ice in this cloud could have formed in a water-rich environment with little CO depletion. Laboratory experiments and quantum chemical calculations suggest that CH₃OH could form via the grain surface reactions CH₃+ OH and/or C + H₂O in water-rich ices. However, no dedicated chemical modelling has been carried out thus far to test their efficiency. In addition, it remains unexplored how the efficiencies of the proposed mechanisms depend on the astrochemical code employed. Aims.We modelled the ice chemistry in the Chamaeleon I cloud to establish the dominant formation processes of CH₃OH, CO, CO₂, and of the hydrides CH₄and NH₃(in addition to H₂O). By using a set of state-of-the-art astrochemical codes (MAGICKAL, MONACO, Nautilus, UCLCHEM, and KMC simulations), we can test the effects of the different code architectures (rate equation vs. stochastic codes) and of the assumed ice chemistry (diffusive vs. non-diffusive). Methods.We consider a grid of models with different gas densities, dust temperatures, visual extinctions, and cloud-collapse length scales. In addition to the successive hydrogenation of CO, the codes’ chemical networks have been augmented to include the alternative processes for CH₃OH ice formation in water-rich environments (i.e. the reactions CH₃+ OH → CH₃OH and C + H₂O → H₂CO). Results.Our models show that the JWST ice observations are better reproduced for gas densities ≥10⁵cm⁻³and collapse timescales ≥10⁵yr. CH₃OH ice formation occurs predominantly (>99%) via CO hydrogenation. The contribution of reactions CH₃+ OH and C + H₂O is negligible. The CO₂ice may form either via CO + OH or CO + O depending on the code. However, KMC simulations reveal that both mechanisms are efficient despite the low rate of the CO + O surface reaction. CH₄is largely underproduced for all codes except for UCLCHEM, for which a higher amount of atomic C is available during the translucent cloud phase of the models. Large differences in the predicted abundances are found at very low dust temperatures (T_dust<12 K) between diffusive and non-diffusive chemistry codes. This is due to the fact that non-diffusive chemistry takes over diffusive chemistry at such low T_dust. This could explain the rather constant ice chemical composition found in Chamaeleon I and other dense cores despite the different visual extinctions probed. 

Abstract A new, more comprehensive model of gas–grain chemistry in hot molecular cores is presented, in which nondiffusive reaction processes on dust-grain surfaces and in ice mantles are implemented alongside traditional diffusive surface/bulk-ice chemistry. We build on our nondiffusive treatments used for chemistry in cold sources, adopting a standard collapse/warm-up physical model for hot cores. A number of other new chemical model inputs and treatments are also explored in depth, culminating in a final model that demonstrates excellent agreement with gas-phase observational abundances for many molecules, including some (e.g., methoxymethanol) that could not be reproduced by conventional diffusive mechanisms. The observed ratios of structural isomers methyl formate, glycolaldehyde, and acetic acid are well reproduced by the models. The main temperature regimes in which various complex organic molecules (COMs) are formed are identified. Nondiffusive chemistry advances the production of many COMs to much earlier times and lower temperatures than in previous model implementations. Those species may form either as by-products of simple-ice production, or via early photochemistry within the ices while external UV photons can still penetrate. Cosmic ray-induced photochemistry is less important than in past models, although it affects some species strongly over long timescales. Another production regime occurs during the high-temperature desorption of solid water, whereby radicals trapped in the ice are released onto the grain/ice surface, where they rapidly react. Several recently proposed gas-phase COM-production mechanisms are also introduced, but they rarely dominate. New surface/ice reactions involving CH and CH₂are found to contribute substantially to the formation of certain COMs.