Chemical Langevin Equation for Complex Reactions

Abstract

The stochastic dynamical behaviors of an elementary reaction system can be investigated by the chemical Langevin equation (CLE). However, most of the reactions in engineering belong to complex reactions. It is not appropriate to describe the random evolution process of a complex chemical reaction system by directly using CLE because the foundation of the deviation of CLE is the equilibrium equation of the number of molecules in elementary reaction systems. In the study, the chemical Langevin equation for complex reactions (CLE-CR) is proposed based on the random process theory by introducing the extent of reactions to express the reaction rates of complex reactions. The reaction rates of complex reactions are regarded as some random variables following Poisson distribution. To illustrate the essential consistency of CLE-CR and CLE, the physical meaning of the propensity function in CLE is comprehensively discussed. A numerical example from chemical engineering is employed to demonstrate the effectiveness of CLE-CR and the solving procedure. The results show that CLE-CR can be conveniently applied into engineering to investigate the stochastic dynamical behaviors of complex reaction systems, giving the probabilistic information of the concentration evolution of chemical constituents.