异丙醇低压热解的实验和动力学模型研究

摘要

The pyrolysis of iso-propanol was studied in a flow reactor at 1.3 kPa and 1,000-1,400 K using syn-chrotron vacuum ultraviolet photoionization mass spectrometry(SVUV-PIMS).Lots of species were detected, including hydrocarbons,alcohols,aldehydes and ketones which are stable,as well as radicals and enols which are unstable.A detailed kinetic model with 142 species and 1,149 reactions ofiso-propanol was developed and vali-dated on the experimental results in present work.Rate of production(ROP)analysis and sensitivity analysis were conducted to shed light on the whole pyrolysis process of iso-propanol.It is indicated that dehydration is the most sensitive to the primary consumption of iso-propanol and controls the production of hydrocarbons,while theα-C-C bond dissociation reaction contributes abundant radicals.Hydrogen abstraction reaction is another pathway to iso-propanol pyrolysis,leading to most oxygen species.%研究了异丙醇在1.3,kPa 和1,000~1,400,K 下的流动反应器热解.利用同步辐射真空紫外光电离质谱方法探测到一系列热解产物,包括碳氢类、醇类和醛酮类等稳定产物,以及自由基、烯醇类等活泼产物.发展了一个包含142个物种和1,149步反应的异丙醇热解反应动力学模型,并利用本工作实验结果对模型进行了验证,结果显示本模型能够很好地对实验结果进行预测.通过生成速率分析和敏感性分析对异丙醇的主要分解路径和产物的主要生成路径进行了分析.结果表明,脱水反应在本实验工况条件下对异丙醇的初始分解敏感性最高,并是碳氢产物的主要来源;燃料的α-C—C断键反应也具有很高的敏感性,是热解反应体系中自由基的主要来源;氢提取反应则是异丙醇另一类重要初始分解反应,同时控制着大多数含氧产物的生成.