Evaluation of Combustion Mechanisms Using Global Uncertainty and Sensitivity Analyses: A Case Study for Low‐Temperature Dimethyl Ether Oxidation

摘要: A global uncertainty analysis is performed for three current mechanisms describing the low-temperature oxidation of dimethyl ether (Aramco Mech 1.3, Metcalfe et al., Int J Chem Kinet 2013, 45, 638-675; Zheng Proc Combust Inst 2005, 30, 1101-1109; Liu Flame 160, 2654-2668) with application to simulations species concentrations (CH2O, H2 O2 ,CH3 OCHO) corresponding existing data from an atmospheric pressure flow reactor and high-pressure ignition delays. When incorporating uncertainties in reaction rates within a sampling approach, distributions predicted targets can span several orders magnitude. The experimental profiles, however, fall predictive limits. variance-based sensitivity then undertaken using high dimensional model representations. main contributions come CH3 OCH2 + system, isomerization, propagation, chain-branching, secondary OH formation, peroxy-peroxy reactions all playing role. response surface relationship between sampled outputs complex cases. Higher order interactions parameters contribute significantly output variance, no single channel dominates any conditions studied. Sensitivity scatter plots