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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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果糖低温快速热解制备糠醛的机理研究
, PP. 1303-1309
Keywords: 果糖,快速热解,糠醛,py-gc/ms,密度泛函理论
Abstract:
？果糖低温快速热解制备5-羟甲基糠醛(hmf)的过程中,糠醛(ff)是一种重要的副产物。通过py-gc/ms(快速热解-气相色谱/质谱联用)实验考察果糖低温快速热解过程中ff的形成特性。结果表明,ff的产率和相对含量都随着热解温度的提高先增大后减小,并在350℃时达到最大值,最高相对峰面积含量达到11.6%。此外,通过密度泛函理论计算,研究果糖热解形成ff的四条可能途径,计算结果表明,果糖热解形成ff的最优途径为路径2,即果糖首先经历一个协同的六元环过渡态,c5-c6键断裂的同时c6位羟基上的氢与c4位的羟基发生脱水反应,脱出一分子甲醛和一分子水,生成含c4=c5双键的二氢呋喃中间体,随后c2位上的羟基与c1位上的氢通过一个四元环过渡态又脱出一分子水,生成的烯醇中间体中烯醇氢与c3位的羟基最后经历一个六元环的过渡态再脱出一分子水,最终形成ff。
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