Towards the Simulation of Reaction Networks in Astrochemistry

The aim of this paper is to apply artificial chemistry (AC) to the modelling of astrochemistry. More generally, we have attempted to construct a computational model of ‘a’ minimal real chemistry in an object oriented (OO) approach (UML, Java). To this end we map astrochemistry into the ACs theoretical framework thanks to the developed OO model. The OO approach has permitted us to separate the actual and logical representation of chemical structure. To perform this mapping we identify and simplify features from astrochemistry to tackle the issues of, representation and canonization, reaction rules, and meta-dynamics for a suitable level of abstraction. In the search for a chemical criterium for existence relations between objects we have used chemical thermodynamics. The result is an abstract, simplified model of a red chemical dynamical reaction network which conceptually captures real chemistry in general.