用遗传算法确定FCC汽油加氢处理动力学参数

C. M. Celis-Cornejo, Gustavo-Alberto Granados-Zarta, Carlos-Eduardo Bravo-Villarreal, David J. Pérez-Martínez, S. Giraldo-Duarte
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引用次数: 1

摘要

研究了CoMo/a-Al2O3催化剂催化合成流化催化裂化(FCC)石脑油加氢、脱硫和加氢同时反应的动力学参数。所提出的动力学模型考虑了只有一种活性位点的Langmuir-Hinshelwood吸附机制(16步)。由于获得的实验数据量相对有限,因此采用遗传算法并通过Nelder-Mead单纯形法进行优化来进行参数估计。以三甲基戊烯和2-甲基噻吩分别作为FCC石脑油中不饱和化合物和含硫化合物的代表分子。可以很好地计算活化能、吸附热和频率因子等动力学和热化学参数。该方法结果非常有用,因为它允许参数确定准确,与传统方法相比减少了实验量。
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KINETIC PARAMETERS DETERMINATION OF FCC GASOLINE HYDROTREATING USING GENETIC ALGORITHMS
The kinetics parameters for the simultaneous reactions of hydrodesulfurization and hydrogenation of synthetic Fluid Catalytic Cracking (FCC) naphtha over CoMo/a-Al2O3 catalyst were determined. The proposed kinetic model considered a Langmuir-Hinshelwood adsorption mechanism (with 16 steps) with just one kind of active site. The amount of experimental data obtained was relatively limited, thus a genetic algorithm accompanied by an optimization through the Nelder-Mead Simplex method were used for the parameter estimations. Trimethylpentenes and 2-methylthiophene were used as representative molecules of unsaturated and sulfur compounds in FCC naphtha respectively. It was possible to calculate kinetic and thermochemical parameters, such as activation energies, adsorption heats and frequency factors with a good enough approach. This methodology results very useful since it allows the parameters determination with accuracy, reducing the amount of experimentation in comparison with traditional methodologies.
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