Kinetic Modeling Studies of Heterogeneously Catalyzed Biodiesel Synthesis Reactions
Kinetic Modeling Studies of Heterogeneously Catalyzed Biodiesel Synthesis Reactions
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DOI：
10.1021/ie101403f
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发表时间：
2011-05-04
影响因子：
4.2
通讯作者：
Sadhukhan, Jhuma
中科院分区：
文献类型：
--
作者：
Kapil, Ankur;Wilson, Karen;Sadhukhan, Jhuma
对甘油三酯非均相催化酯交换反应制备生物柴油的反应机理和动力学常数进行了研究。在假定催化剂表面物种和甲醇吸附为准稳态条件和表面反应为速率控制步骤的前提下，采用Eley-RIdea(ER)、Langmuir-HinShelwood-Hougen-Watson(LHHW)和Hattori三个基本反应机理，利用多尺度模拟框架预测催化剂的表面覆盖率和本体浓度。在LHHW基本机理中，基于甲醇吸附作为速率限制的速率表达式被发现在统计上是对不同配方的水滑石催化剂实验数据最可靠的表示。
The heterogeneously catalyzed transesterification reaction for the production of biodiesel from triglycerides was investigated for reaction mechanism and kinetic constants. Three elementary reaction mechanisms Eley-Rideal (ER), Langmuir-Hinshelwood-Hougen-Watson (LHHW), and Hattori with assumptions, such as quasi-steady-state conditions for the surface species and methanol adsorption, and surface reactions as the rate-determining steps were applied to predict the catalyst surface coverage and the bulk concentration using a multiscale simulation framework. The rate expression based on methanol adsorption as the rate limiting in LHHW elementary mechanism has been found to be statistically the most reliable representation of the experimental data using hydrotalcite catalyst with different formulations.