本文選題：縮醛反應 + 熱力學��； 參考：《過程工程學報》2017年06期

【摘要】：以正丁醛、正戊醛和正己醛為反應底物,研究了催化劑用量、醛醇比、反應溫度等對1,2,4-丁三醇縮醛反應的影響,通過熱力學平衡研究,獲得了熱力學平衡常數、反應焓變、反應熵變、反應吉布斯自由能變化等熱力學參數,建立了該反應的動力學模型,利用線性自由能關系定量分析了醛的烷基鏈長度對縮醛反應的影響.結果表明,在298~323 K溫度范圍內,該反應為放熱反應,明顯受熱力學限制.所建模型能很好地描述縮醛反應過程,反應的表觀活化能為51.1~52.3 k J/mol.縮醛反應的平衡常數和反應速率均與極性效應常數(σ*)有良好的線性關系.
[Abstract]:The effects of the amount of catalyst, the ratio of aldehyde to alcohol and the reaction temperature on the acetal reaction of 1-butanediol 4-butanol were studied with n-butyraldehyde, n-pentaldehyde and n-hexaldehyde as the reaction substrates. The thermodynamic equilibrium constant and enthalpy change of the reaction were obtained through the thermodynamic equilibrium study. The kinetic model of the reaction was established by changing the reaction entropy and Gibbs free energy. The effect of alkyl chain length of aldehydes on acetal reaction was quantitatively analyzed by linear free energy relationship. The results show that the reaction is an exothermic reaction in the temperature range of 298 ~ 323K, which is obviously limited by thermodynamics. The model can describe the process of acetal reaction well, and the apparent activation energy of the reaction is 51.1 ~ 52.3 k / mol. There is a good linear relationship between the equilibrium constant and the reaction rate of acetal reaction and the polar effect constant.
【作者單位】： 中國科學院過程工程研究所綠色過程工程重點實驗室;中國科學院大學化學化工學院;中國科學院青島生物能源與過程研究所;
【基金】：Supported by Taishan Scholars Climbing Program of Shandong(No.tspd20150210) National Natural Science Foundation of China(No.21506221,21676283)
【分類號】：O621.25
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本文編號：1980498