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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Kinetics of Liquid Phase Catalytic Hydrogenation of Dicyclopentadiene over Pd/C Catalyst
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Kinetics of Liquid Phase Catalytic Hydrogenation of Dicyclopentadiene over Pd/C Catalyst

机译：Pd / C催化剂上双环戊二烯液相催化加氢动力学

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摘要

To investigate the kinetics behaviors of dicyclopentadiene hydrogenation, a series of experiments were performed at different temperatures (323-353 K) under varying hydrogen pressure (0.5-1.5 MPa) with a range of Pd/C catalyst loading (0.25-1.00 wt %) using ethanol as solvent in a batch reactor. The time dependent concentration variations for each component were traced under the conditions of removing both the internal and external diffusion effects. The Langmuir-Hinshelwood mechanism was proposed with the consideration of the noncompetitive adsorption between the organic species with hydrogen, and the surface reaction was the rate-determining step. The kinetic equations for the sequence reaction were derived on the basis of the analysis of mechanisms, and the model parameters were determined by fitting the experimental data in differential temperature using the method of Runge-Kutta. The reaction activation energies for the first and second steps are 3.19 and 31.69 kJ · mol-1, respectively, and the reliability of the model was verified by these experimental results to change hydrogen pressure, reactant concentration and catalyst loading. The simulation results agreed well with the experimental data.
机译：为了研究二环戊二烯加氢的动力学行为，在不同的氢气压力（0.5-1.5 MPa）和一定的Pd / C催化剂负载量（0.25-1.00 wt％）下，在不同温度（323-353 K）下进行了一系列实验在间歇反应器中使用乙醇作为溶剂。在消除内部和外部扩散效应的条件下，追踪每种组分的时间依赖性浓度变化。考虑到有机物质与氢之间的非竞争性吸附，提出了Langmuir-Hinshelwood机理，并且表面反应是决定速率的步骤。在机理分析的基础上，推导了序列反应的动力学方程，并采用Runge-Kutta方法在温差下拟合实验数据，确定了模型参数。第一步和第二步的反应活化能分别为3.19和31.69 kJ·mol-1，通过改变氢气压力，反应物浓度和催化剂负载量的这些实验结果验证了模型的可靠性。仿真结果与实验数据吻合良好。

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