Rate-controlled constrained-equilibrium (RCCE) modelling of C₁-hydrocarbon fuels

This dissertation is focused on an important problem faced in chemical kinetic modelling, that is, model order reduction. The method of Rate-Controlled Constrained-Equilibrium (RCCE) firmly based on the Second Law of Thermodynamics, has been further developed and used for this purpose. The main chal...

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Online Access:http://hdl.handle.net/2047/d20002647
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Summary:This dissertation is focused on an important problem faced in chemical kinetic modelling, that is, model order reduction. The method of Rate-Controlled Constrained-Equilibrium (RCCE) firmly based on the Second Law of Thermodynamics, has been further developed and used for this purpose. The main challenge in RCCE lies in selection of the kinetic constraints. Two classes of problems were looked at: 1) far-from equilibrium problem of ignition and 2) relaxations away from equilibrium due to interactions with the environment.