酸催化酯交换反应制备生物柴油最佳反应位
Most probable reactive site of acid-catalyzed transesterification reaction for synthesis of biodiesel
采用密度泛函理论(DFT)，研究甘油三酯酯键优先发生反应这一问题。前期报道表明中间位酯键比端位酯键优先发生酯交换反应。但是，我们的理论研究却于此不同，认为端位酯键的酯交换过程是最有利的过程。
Using the Density Functional Theory (DFT), the issue of which to react first among the three ester bonds of the triglyceride was studied. The previous reports showed that the center ester bond was followed by the outside ester bond resulting in the transesterification reaction. However, this result was questioned by our research, suggesting that the transesterification of the outside ester bond is the most favorable process.
张萍波、韩秋菊、范明明、蒋平平
生物工程学化学生物化学
生物柴油酯交换反应酸催化密度泛函理论福井函数
biodieseltransesterificationacid catalysisdensity functional theory (DFT)Fukui function
张萍波,韩秋菊,范明明,蒋平平.酸催化酯交换反应制备生物柴油最佳反应位[EB/OL].(2013-10-23)[2025-08-02].http://www.paper.edu.cn/releasepaper/content/201310-287.点此复制
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