Volume 1: Energy Innovations: Accelerated Deployment, New Concepts, and Emerging Technologies

Kinetic simulation of methane combustion reaction: from mechanism to application Zhicong Li, Yanqin Li, Chun Lou

Abstract

Basedon the detailed mechanismmodel of the methane combustion, the kinetic parameters of the global reaction, such as pre-exponential factors and activation energy, are modeled and solved. The variations of concentration of the radicals and components over time are shown for certain mechanism models, and that for global models as well. The algebraic relationship deduced from elementary reactions to global reactions are also discussed. By the method proposed, the dynamic parameters of the global reaction from essential mechanism model were drawn and compared with those from literature. Correspondingly, this paper proposed an approach to achieve the kinetic parameters of certain global reaction, in application, from availablemechanismmodels.

Keywords reaction mechanism, global reaction, reaction rate constant, pre-exponential factor, activation energy