Related papers: Methanol formation chemistry with revised reaction…
Chemical reactions on dust grains are of crucial importance in interstellar chemistry because they produce molecular hydrogen and various organic molecules. Due to the submicron size of the grains and the low flux, the surface populations…
We have used the master equation approach to study a moderately complex network of diffusive reactions occurring on the surfaces of interstellar dust particles. This network is meant to apply to dense clouds in which a large portion of the…
Aims: The production of saturated organic molecules in hot cores and corinos is not well understood. The standard approach is to assume that, as temperatures heat up during star formation, methanol and other species evaporate from grain…
The feasibility of contemporary gas-grain astrochemical models depends on the availability of accurate kinetics data, in particular, for surface processes. We study the sensitivity of gas-grain chemical models to the energy barrier Ea of…
Context: The HD and H2 molecules play important roles in the cooling of primordial and very metal-poor gas at high redshift. Aims: Grain surface and gas phase formation of HD and H2 is investigated to assess the importance of trace amounts…
While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface…
The development of ammonia-methane (NH3-CH4) combustion as a hydrogen-carrier energy source faces major challenges such as significant NOx emissions, hindering its practical implementation. This paper examines how ethanol (C2H6O) and…
Experimental results on the formation of molecular hydrogen on amorphous silicate surfaces are presented for the first time and analyzed using a rate equation model. The energy barriers for the relevant diffusion and desorption processes…
We explore the effects of composition and temperature on the apparent molar volumes of species of water-methanol mixtures. Isothermal-isobaric molecular dynamics simulations are used with this purpose. Several combinations of models for…
We present a density-functional theory based molecular-dynamics study of the structural, dynamical, and electronic properties of liquid methanol under ambient conditions. The calculated radial distribution functions involving the oxygen and…
Methanol-water liquid mixtures have been investigated by high-energy synchrotron X-ray and neutron diffraction at low temperatures. We are thus able to report the first complete sets of both X-ray and neutron weighted total scattering…
We survey the current situation regarding chemical modelling of the synthesis of molecules in the interstellar medium. The present state of knowledge concerning the rate coefficients and their uncertainties for the major gas-phase processes…
Deuterium fractionation is highly efficient during the early stages of star formation, particularly in starless and prestellar cores where temperatures are low (<10 K) and molecular freeze-out onto dust grains is significant. Methanol forms…
Within the framework of The Heterogeneous dust Evolution Model at the IaS (THEMIS) this work investigates in detail the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and its influence on…
The deuterium enrichment in molecules in dark molecular cloud cores and starforming regions is usually attributed to gas-phase chemistry. Here we examine the effects of surface and mantle chemical reactions on the deuteration of species. We…
The formation of H2 and HD molecules on interstellar dust grains is studied using rate equation and master equation models. Rate equations are used in the analysis of laboratory experiments which examine the formation of molecular hydrogen…
In order to improve the understanding of the low temperature combustion of ethanol, high-level ab initio calculations were performed for elementary reactions involving hydroxyethylperoxy radicals. These radicals come from the addition of…
The effect of accretion bursts on massive young stellar objects (MYSOs) represents a new research field in the study of young stars and their environment. We aim to investigate the impact of an accretion burst on massive disks with…
Hydroxylamine, NH2OH, is one of the already detected interstellar molecules with the highest prebiotic potential. Yet, the abundance of this molecule found by astronomical observations is rather low for a relatively simple molecule, $\sim$…
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. Our aim is to determine the…