物理化学学报
物理化學學報
물이화학학보
ACTA PHYSICO-CHIMICA SINICA
2013年
2期
237-244
,共8页
正癸烷%化学动力学%路径分析%灵敏度分析%着火延迟时间%火焰传播速度
正癸烷%化學動力學%路徑分析%靈敏度分析%著火延遲時間%火燄傳播速度
정계완%화학동역학%로경분석%령민도분석%착화연지시간%화염전파속도
n-Decane%Chemical kinetics%Reaction path analysis%Sensitivity analysis%Auto-ignition delay time%Laminar flame speed
构建了一个包含46组分和167反应的描述正癸烷着火与燃烧过程的化学反应动力学机理模型,该机理是在通过路径分析和灵敏度分析对Peters机理(118组分和527反应)进行较大程度简化的基础上,对低温着火和火焰传播速度影响较大的部分基元反应进行修正和改进后得到的.与文献给出的实验结果对比表明,该机理不仅比现有的机理具有较少的组分数和基元反应数,而且能够更准确地预测正癸烷低温和高温条件下的着火延迟时间和火焰传播速度.该机理为进一步实现总包简化机理与计算流体力学(CFD)的耦合计算奠定了基础.
構建瞭一箇包含46組分和167反應的描述正癸烷著火與燃燒過程的化學反應動力學機理模型,該機理是在通過路徑分析和靈敏度分析對Peters機理(118組分和527反應)進行較大程度簡化的基礎上,對低溫著火和火燄傳播速度影響較大的部分基元反應進行脩正和改進後得到的.與文獻給齣的實驗結果對比錶明,該機理不僅比現有的機理具有較少的組分數和基元反應數,而且能夠更準確地預測正癸烷低溫和高溫條件下的著火延遲時間和火燄傳播速度.該機理為進一步實現總包簡化機理與計算流體力學(CFD)的耦閤計算奠定瞭基礎.
구건료일개포함46조분화167반응적묘술정계완착화여연소과정적화학반응동역학궤리모형,해궤리시재통과로경분석화령민도분석대Peters궤리(118조분화527반응)진행교대정도간화적기출상,대저온착화화화염전파속도영향교대적부분기원반응진행수정화개진후득도적.여문헌급출적실험결과대비표명,해궤리불부비현유적궤리구유교소적조분수화기원반응수,이차능구경준학지예측정계완저온화고온조건하적착화연지시간화화염전파속도.해궤리위진일보실현총포간화궤리여계산류체역학(CFD)적우합계산전정료기출.
A chemical kinetic model containing 46 species and 167 reactions was developed for the auto-ignition and combustion of n-decane. On the basis of a significant reduction of the mechanism proposed by Peters (118 species and 527 reactions)—where the reduction was achieved using reaction path analysis and a sensitivity analysis—the newly developed mechanism was obtained by correcting and improving some elementary reactions important for auto-ignition at lower temperatures and laminar flame speeds. When compared with experimental results, not only did the mechanism contain fewer species and reactions than other models, it could also predict the auto-ignition delay time at lower and higher temperatures and laminar flame speeds more precisely. The development of this model represents a significant step toward a global model that could be coupled with computational fluid dynamics.