2-丁烯简化机理构建及路径分析

Simplified mechanism construction and pathway analysis of 2-butene

中文关键词: 2-丁烯  机理简化  DRG  灵敏度分析  反应路径分析

英文关键词: Simplified mechanism construction and pathway analysis of 2-butene

中文摘要:

      2-丁烯是石油裂解的产物之一,也是大分子组分燃料燃烧的中间产物,在化工及燃烧领域起着至关重 要的作用。以点火延迟时间和重要组分为简化目标,交叉使用直接关系图法(directedrelationgraphmethod, DRG)类算法对其详细机理进行简化,得到了包含71种组分和430步基元反应的简化机理。以 层 流 火 焰 速 度、组分摩尔分数等参数为基础,对简化机理进行了误差分析,并通过对比点火延迟实验数据,发现简化机理 和实际有很好的吻合,验证了简化机理的有效性。最后结合敏感度分析,得到了2-丁烯的基本反应路径。

英文摘要:

      As one of the products of petroleum cracking and the intermediate product of macromolecularfuelcombustion,2-butene plays animportantrolein chemicalindustry and combustionfield.Thedetailed mechanism oftheignitiondelaytimeandimportantgroup was simplifiedbycross-useofDRG(Directedrelationgraph)algorithm,andthesimplified mechanism containing71componentsand430stepswasobtained.Basedonlaminarflamevelocity,component concentrationandotherparameters,theerroranalysisofthesimplifiedmechanismwascarriedout. Bycomparingtheexperimentaldataofignitiondelay,itwasfoundthatthesimplifiedmechanismwas ingoodagreementwiththeactualone,andtheeffectivenessofthesimplifiedmechanismwasverified. Finally,thebasicreactionpathof2-butenewasobtainedbysensitivityanalysis.