Combinatorics of chemical reaction systems


We propose a concise stochastic mechanics framework for chemical reaction systems that allows to formulate evolution equations for three general types of data: the probability generating functions, the exponential moment generating functions and the factorial moment generating functions. This formulation constitutes an intimate synergy between techniques of statistical physics and of combinatorics. We demonstrate how to analytically solve the evolution equations for all six elementary types of single-species chemical reactions by either combinatorial normal-ordering techniques, or, for the binary reactions, by means of Sobolev-Jacobi orthogonal polynomials. The former set of results in particular highlights the relationship between infinitesimal generators of stochastic evolution and parametric transformations of probability distributions.

In: arXiv preprint

Example for the evolution of a chemical reaction system