Comparison of the performance of ethylene combustion mechanisms
Bin Su, Máté Papp, István Gy. Zsély, Tibor Nagy, Peng Zhang, Tamás Turányi
Abstract
Ethylene is a key intermediate in the combustion and pyrolysis of larger hydrocarbons. A large set of literature experimental data covering wide ranges of conditions on ethylene combustion was collected: ignition delay times measured in shock tubes (1160 data points in 114 data series) and rapid compression machines (83/5); concentration measurements carried out in jet-stirred reactors (1586/157) and flow reactors (649/59); and laminar burning velocities (882/59). 14 detailed reaction mechanisms were investigated using the collected experimental data. The results show significant differences between the performances of the various mechanisms. The four best-performing mechanisms are Aramco-2.0-2016, Aramco-3.0-2018, Yang-2020 and NUIGMech-1.1-2020 based on all included experimental data. The best-performing model Aramco-2.0-2016 was further investigated by local sensitivity analysis. Several reaction steps were found to be important for simulating the experiments: many reactions of the hydrogen, syngas and C1 hydrocarbons oxidation systems, furthermore reactions C2H3 + O2 = CH2CHO + O and C2H4 + OH = C2H3 + H2O which are specific for ethylene combustion.