A Monte Carlo-Based Strategy to Assess Complex Kinetics: Application of the Null-Reaction Method to DAEM.

The distributed activation energy model (DAEM) is widely used in chemical kinetics to statistically describe the occurrence of numerous independent parallel reactions. In this article, we suggest a rethink in the context of a Monte Carlo integral formulation to compute the conversion rate at any time without approximation. After the basics of the DAEM are introduced, the considered equations (under isothermal and dynamic conditions) are respectively expressed into expected values, which in turn are transcribed into Monte Carlo algorithms.