Estimation of Kinetic Parameters and Simulation of Methylacetylene and Propadiene Liquid-Phase Selective Hydrogenation Reactor Considering the Catalyst Deactivation,Industrial & Engineering Chemistry Research

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Estimation of Kinetic Parameters and Simulation of Methylacetylene and Propadiene Liquid-Phase Selective Hydrogenation Reactor Considering the Catalyst Deactivation
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2021-08-20 , DOI: 10.1021/acs.iecr.1c01593
Pouria Ghasemigoudarzi ₁ , Mahmoud Reza Hojjati ₁ , Mohammadreza Omidkhah ₂ , Mohammad Sadegh Tavallali ₁

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This paper presents a kinetic study of methylacetylene (MA) and propadiene (PD) liquid-phase selective hydrogenation considering catalyst deactivation. For this purpose, more than 20 000 plant operational data points were collected from two different fixed-bed reactors in an olefin plant during a 14-month run-step. Four different kinetic models were used parametrically in a dynamic reactor simulation. The genetic algorithm (GA) technique was used to estimate the kinetic constant by minimization of the mean relative error (MRE) between the simulation results and plant data. The effects of T_inlet, WHSV, H₂/MAPD, and catalyst deactivation on the reactor performance, propylene (PR) selectivity, PR yield, and other undesired products such as benzene (BZ) and toluene (TL) have been investigated. The average MRE of the reactor temperature, species molar flow, and reactor pressure drop is 3.46, 5.9, and 4.86%, respectively, indicating that the Langmuir–Hinshelwood–Hougen–Watson (LH-HW) type model with hydrogen dissociation fit the experimental data with acceptable accuracy.

中文翻译：

考虑催化剂失活的甲基乙炔丙二烯液相选择性加氢反应器动力学参数估算及模拟

本文介绍了考虑催化剂失活的甲基乙炔 (MA) 和丙二烯 (PD) 液相选择性加氢的动力学研究。为此，在 14 个月的运行步骤中，从烯烃工厂的两个不同固定床反应器中收集了 20 000 多个工厂运行数据点。在动态反应器模拟中参数化地使用了四种不同的动力学模型。遗传算法 (GA) 技术用于通过最小化模拟结果和工厂数据之间的平均相对误差 (MRE) 来估计动力学常数。的效果Ť_入口，WHSV，H ₂已经研究了 /MAPD 和催化剂失活对反应器性能、丙烯 (PR) 选择性、PR 产率和其他不需要的产物如苯 (BZ) 和甲苯 (TL) 的影响。反应器温度、物种摩尔流量和反应器压降的平均 MRE 分别为 3.46、5.9 和 4.86%，表明具有氢解离的 Langmuir-Hinshelwood-Hougen-Watson (LH-HW) 型模型符合实验具有可接受精度的数据。

更新日期：2021-09-01

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