US EPA

8699762 

Meetings & Symposia 

Towards kerosene reaction model development: Propylcyclohexane, cyC 9H18, n-Dodecane, C12H26, and Hexadecane C16H34 Combustion 

Slavinskaya, NA; Zizin, A; Riedel, U 

2010 

English 

Previously performed optimisation of the kerosene (Jet-A) physical properties (combustion enthalpy, formation enthalpy, molar weight, C/H ratio, sooting tendency index, critical point, two phase diagram and distillation curve) resulted in initial formula for the surrogate blend consisting of propylcyclohexane, iso-octane, dodecane, 1-methylnaphtalene and hexadecane. To further optimise the initial formula of the model fuel and evaluate chemical properties of the blend, first of all ignition delay times, corresponding kinetic models have to be developed. The previous elaborated skeletal kinetic scheme of n-heptane and iso-octane combustion with PAH formation was used as the basic kernel mechanism for further model extension with propylcyclohexane, n-dodecane, and n-hexadecane submodels. These submodels were derived applying the n - decane kinetic modeling strategy: model simplification based on the definition of the reference reaction set, global sensitivity analysis and lumped approach. For propylcyclohexane oxidation, first a skeletal reaction mechanism for low and high temperature cyclohexane oxidation was developed. The important feature of this cycloalkane sub model is its ability to describe the formation of benzene and PAH growth. The proposed submodels are supported by comparisons with experimental measurements. The general agreement was obtained in the overall range of experiment's simulations. Copyright 2010 by A.Zizin, U.Riedel.