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Experimental Investigation of Propargyl Alcohol Pyrolysis

机译:炔丙醇热解的实验研究

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Thermal decomposition studies of propargyl alcohol was carried out using single pulse shock tube in the temperature range 1020 K - 1540 K. Acetylene, propyne, formaldehyde, propynal, propenal, carbon monoxide are the observed products of propargyl alcohol decomposition. Ab initio and density function calculations have been carried out to identify reaction paths leading to various products and also to estimate the activation barrier for comparison with experimental results.
机译:使用单脉冲激波管在1020 K-1540 K的温度范围内进行炔丙醇的热分解研究。乙炔,丙炔,甲醛,丙炔,丙烯,一氧化碳是炔丙醇分解的产物。已经进行了从头算和密度函数计算,以确定导致各种产物的反应路径,并估计了活化势垒,以便与实验结果进行比较。

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