氮氧化物-大分子烷烃相互作用的化学动力学模型

摘要

为准确模拟氮氧化物与C7、C8等大分子烷烃燃料之间的氧化过程，在前人工作的基础上，提出了一个NO—NC7H16相互作用的化学动力学模型．该模型以Marinov的研究成果为基础，并对其进行了部分修改．在此基础上，采用Glaude等人的方法，增加了大分子碳氢燃料与NO之间的基元反应，并日．采用了Anderlohr等人最新的研究结果，对部分基元反应数据进行了修正．该化学动力学模型包含245个反应，34种组份．在喷射反应器（JSR）与均质压燃（HCCI）发动机卜将试验与计算结果进行了对比，结果表明．在不同的反应初始温度和不同压力下，该机理模型能很好的预测大分子烷烃及其主要中间产物物质的量浓度变化趋势，对NC7H16均质压燃的低温与高温着火时刻的预测与试验值符合较好．%To accurately simulate the oxidation process between nitric oxides and C7, C8 or other large alkanes, a chemical kinetics model on NO-NCyHI6 interaction is proposed based on the previous work. The model is modified by referencing the Marinov＇s results. Some chemical reactions between hydrocarbon molecules and NO are added by adopting the Glaude＇s methods, and some chemical reaction data are modified by introducing the latest results of Anderlohr. The chemical kinetic model consists of 245 reactions and 34 species. The experimental and calculated results are compared in a JSR and a HCCI engine. Results show that at different temperature and initial reaction pressure, the mechanism model can well predict molar concentration trends for large alkanes and major intermediate products. It can give good prediction to the ignition timings of cool flame and main flame of HCCI combustion fueled with NC7H16.