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Experimental and Modeling Study of the Oxidation of Isobutane and Isobutene

机译:异丁烷和异丁烯氧化的实验性和建模研究

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Kinetic modeling of isobutanol combustion requires a reliable chemical kinetic submodel for the pyrolysis and oxidation of isobutene. To establish the validity of a base model, validation tests need to be performed for the oxidation of isobutane and isobutene against a wide range of experimental observations. In this study, over 50 sets of data are considered, including previously published data of laminar flame speeds, shock tube ignition delay, species concentrations in a jet stirred reactor and a new set of burner-stabilized premixed flame data. The new premixed laminar flame structures for both isobutene and isobutane at fuel rich (phi=1.60) and stoichiometric (phi=1.00) conditions are determined at low pressures (20 or 30 torr) by flame-sampling molecular-beam mass spectrometry (MBMS) in combination with single-photon synchrotron ionization. The results consist of mole fraction profiles of reactants, products and the well-identified stable and reactive intermediates. Satisfactory agreement is obtained between USC Mech II predictions and the experimental data.
机译:异丁醇燃烧的动力学建模需要一种可靠的化学动力学子模型,用于异丁烯的热解和氧化。为了建立基础模型的有效性,需要针对异丁烷和异丁烯的氧化来进行验证试验,针对各种实验观察结果进行异丁烷和异丁烯。在这项研究中,考虑了超过50组数据,包括先前公布的流体火焰速度,冲击管点火延迟,射流搅拌反应器中的物种浓度和一组新的燃烧器稳定预混火焰数据。通过火焰采样分子束质谱(MBMS)在低压(20或30托)下测定用于富含燃料(PHI = 1.60)和化学计量(PHI = 1.00)条件的异丁烯和异丁烷的新预混层的火焰结构。与单光子同步rotron电离相结合。结果包括反应物,产物和良好稳定的稳定和反应性中间体的摩尔分数谱。在USC MECH II预测和实验数据之间获得满意的协议。

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