聚甲氧基二甲醚燃烧动力学模型开发与简化OA

OMEn(polyoxymethylene dimethyl ethers)are promising renewable synthetic fuels,and understanding their combustion characteristics and kinetic mechanisms is crucial for engineering applications.Based on the evaluation of the prediction accuracy of existing models,a detailed kinetic model for OME1-5 containing 438 species and 4 103 reactions was developed by following the reaction classes and rate rules of the optimal model.Subsequently,the detailed model was reduced using a multi-stage reduction method,including the direct relation graph method with error propagation and the isomer lumping method.In this process,isomers such as fuel radicals,QOOH and ketohydroperoxides were classified and lumped according to differences in dehydrogenation carbon sites and transition state ring sizes.Ultimately,a reduced model with 106 species and 546 reactions was obtained.Simulation results demonstrate that both models can accurately predict key combustion parameters such as ignition delay time,laminar flame speeds and species mole fraction for OME1-5.The reduced model achieves a computational efficiency improvement of approximately 17 times compared to the detailed model while maintaining prediction accuracy.