Related papers: Sensitivity Analysis of Aromatic Chemistry to Gas-…
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…
Because of new telescopes that will dramatically improve our knowledge of the interstellar medium, chemical models will have to be used to simulate the chemistry of many regions with diverse properties. To make these models more robust, it…
Chemical networks used for models of interstellar clouds contain many reactions, some of them with poorly determined rate coefficients and/or products. In this work, we report a method for improving the predictions of molecular abundances…
Context: Dark cloud chemical models usually predict large amounts of O2, often above observational limits. Aims: We investigate the reason for this discrepancy from a theoretical point of view, inspired by the studies of Jenkins and Whittet…
With the chemical reaction rate database UMIST95 (Millar et al. 1997) we analyze how uncertainties in rate constants of gas-phase chemical reactions influence the modelling of molecular abundances in the interstellar medium. Random…
Chemical reaction networks are central to all chemical models. Each rate coefficient has an associated uncertainty, which is generally not taken into account when calculating the chemistry. We performed the first uncertainty analysis of a…
In this study we demonstrate for the first time that the unified Monte Carlo approach can be applied to model gas-grain chemistry in large reaction networks. Specifically, we build a time-dependent gas-grain chemical model of the…
We review the reactions between carbon chain molecules and radicals, namely Cn, CnH, CnH2, C2n+1O, CnN, HC2n+1N, with C, N and O atoms. Rate constants and branching ratios for these processes have been re-evaluated using experimental and…
Cyanopolyynes are among the largest and most commonly observed interstellar Complex Organic Molecules in star-forming regions. They are believed to form primarily in the gas-phase, but their formation routes are not well understood. We…
Predictions of astrochemical models depend strongly on the reaction rate coefficients used in the simulations. We reviewed a number of key reactions for the chemistry of nitrogen-bearing species in the dense interstellar medium and proposed…
Astrochemistry lies at the nexus of astronomy, chemistry, and molecular physics. On the basis of precise laboratory data, a rich collection of more than 200 familiar and exotic molecules have been identified in the interstellar medium, the…
We study how uncertainties in the rate coefficients of chemical reactions in the RATE06 database affect abundances and column densities of key molecules in protoplanetary disks. We randomly varied the gas-phase reaction rates within their…
Astrochemical models are essential to bridge the gap between the timescales of reactions, experiments, and observations. Ice chemistry in these models experiences a large computational complexity as a result of the many parameters required…
Sensitivity analysis is a process of computing sensitivity indices, which are certain measures of importance of parameters in influencing the outputs of mathematical models. Sensitivity indices computed in variance-based sensitivity…
Grain surface chemistry and its treatment in gas-grain chemical models is an area of large uncertainty. Whilst laboratory experiments are making progress, there is still much that is unknown about grain surface chemistry. Further, the…
[Abridged] We present an application of a statistical tool known as Sensitivity Analysis to characterize the relationship between input parameters and observational predictions of semi-analytic models of galaxy formation coupled to…
Lattice kinetic Monte Carlo simulations have become a vital tool for predictive quality atomistic understanding of complex surface chemical reaction kinetics over a wide range of reaction conditions. In order to expand their practical value…
Sensitivity analysis is an effective tool for systematically identifying specific perturbations in parameters that have significant effects on the behavior of a given biosystem, at the scale investigated. In this work, using a…
Aim: To determine whether or not gas-phase chemical models with homogeneous and time-independent physical conditions explain the many observed molecular abundances in astrophysical sources, it is crucial to estimate the uncertainties in the…
The gas-phase chemistry of dark clouds has been studied with a treatment of uncertainties caused both by errors in individual rate coefficients and uncertainties in physical conditions. Moreover, a sensitivity analysis has been employed to…