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Oxidation of 2,7-Dimethyloctane and n-Propylcyclohexane in the Low to Intermediate Temperature Regime with a Pressurized Flow Reactor

机译:用加压流反应器氧化2,7-二甲基辛烷和正丙基环己烷中的低至中间温度调节

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The Pressurized Flow Reactor (PFR) at Drexel University was used to study the low to intermediate temperature oxidation of 2,7-Dimethyloctane (2,7-DMO)/air and n-Propylcyclohexane (n-PCH)/air. 2,7-DMO is a symmetric lightly branched alkane (an isomer of n-Decane) and n-PCH is a cycloalkane; both are possible surrogate components of their respective chemical classes commonly used for chemical kinetic model development and validation. The experimental conditions studied were: temperature of 550-850 K; pressure of 8.0 atm; residence time of 120 ms. The initial hydrocarbon mole fractions were: 843 ppm 2,7-DMO (equivalence ratio of 0.31) and 824 ppm n-PCH (equivalence ratio of 0.27). The oxidation intermediates were extracted from the PFR and then identified and quantified with a Gas Chromatograph/Flame Ionization Detector (GC/FID) coupled to a Mass Spectrometer (MS). Carbon monoxide (CO) levels were measured online to monitor fuel reactivity and map the Negative Temperature Coefficient (NTC) regime. For n-PCH oxidation NTC start was at approximately 690 K, as indicated by maximum CO and minimum O_2 mole fractions. Over 60 intermediate species were measured and carbon balances were greater than 90% for all sample temperatures. Similar intermediates were previously measured for n-Butylcyclohexane (n-BCH) oxidation which suggests that similar reaction pathways exist between n-PCH and n-BCH, as expected. For 2,7-DMO, NTC start was approximately 695 K. Overall fuel reactivity was less than n-Decane, likely resulting from the methyl group substitution. Carbon balances were higher than 70% with about 50 intermediate species measured. During the oxidation of 2,7-DMO, high levels of butene were produced near the NTC region. Lower reactivity of 2,7-DMO in comparison to n-Decane and n-BCH can be explained by the high stability of butene.
机译:加压流反应器(PFR)在德雷克塞尔大学用于低研究以2,7-二甲基(2,7-二DMO)/空气和正丙基(正PCH)/空气的中间温度氧化。 2,7-DMO是一个对称的轻质支链烷烃(N-癸烷的异构体),N-PCH是环烷烃;两者都是其各自的化学类别的替代组件,通常用于化学动力学模型开发和验证。研究的实验条件是:温度为550-850 k; 8.0 atm的压力;住宿时间为120毫秒。初始烃摩尔分数是:843ppm 2,7-DMO(等效比为0.31)和824ppm n-PCH(等效比为0.27)。从PFR中提取氧化中间体,然后用偶联至质谱仪(MS)的气相色谱/火焰电离检测器(GC / FID)鉴定和定量。在线测量一氧化碳(CO)水平以监测燃料反应性并映射负温度系数(NTC)制度。对于N-PCH氧化NTC开始,如大约690K,如最大CO和最小O_2摩尔级分。测量超过60种中间物种,所有样品温度的碳余平大于90%。预先测量类似的中间体对正丁基环己烷(N-BCH)氧化,这表明如预期的那样,在N-PCH和N-BCH之间存在类似的反应途径。对于2,7-DMO,NTC开始约为695 K.总体燃料反应性小于N-癸烷,可能是由甲基取代而导致的。碳平衡高于70%,测量约50种中间物种。在氧化2,7-DMO期间,在NTC区域附近产生高水平的丁烯。与N-癸烷和N-BCH相比,2,7-DMO的反应性降低,可以通过丁烯的高稳定来解释。

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