Modeling
In the laboratory, we develop several types of numerical models of chemistry in star and planet formation regions. The models are based on different mathematical approximations and differ in the level of detail in describing chemical processes. The most widely used model is MONACO. The model is based on the approximation of chemical balance equations. In this approximation, chemical reactions are described at the macro level, i.e., with the least detail. However, balance equations are easily amenable to numerical solution, which allows modeling very complex systems with them, including thousands of molecules and tens of thousands of reactions between them. Therefore, the MONACO code is most in demand for modeling the chemical evolution of the interstellar medium.
A more detailed description of chemical processes is possible using Monte Carlo methods. We develop two models. One is based on the macroscopic Monte Carlo method implementing the Gillespie algorithm. This model allows tracking individual chemical reaction events without accounting for the spatial position of reacting atoms and molecules. The model is used to study stochastic effects in chemically reacting systems, as well as to investigate the efficiency of chemical reaction «loops». The other model is based on the off-lattice Monte Carlo method and serves to study the influence of surface features on the course of surface chemical reactions. The model is also used to interpret some laboratory experiments.
A more detailed description of chemical processes is possible using Monte Carlo methods. We develop two models. One is based on the macroscopic Monte Carlo method implementing the Gillespie algorithm. This model allows tracking individual chemical reaction events without accounting for the spatial position of reacting atoms and molecules. The model is used to study stochastic effects in chemically reacting systems, as well as to investigate the efficiency of chemical reaction «loops». The other model is based on the off-lattice Monte Carlo method and serves to study the influence of surface features on the course of surface chemical reactions. The model is also used to interpret some laboratory experiments.
models
Formation of complex molecules in prestellar core L1544
Study of uncertainties in astrochemical modeling
Chemical evolution in protoplanetary disks with dust growth
Stochastic effects in astrochemical modeling
Off-lattice Monte Carlo models
48 Kuibysheva St., Yekaterinburg, Russia
Research Laboratory
for Astrochemistry UrFU
for Astrochemistry UrFU