La/活性炭吸附脱硫动力学模型的研究  

Study on kinetic models of adsorption desulfurization on La/activated carbon

作　　者：刘会鹏[1] 王建红[1] 许梦宇 杨浩[1] 乔聪震[1] 

机构地区：[1]河南大学化学化工学院废弃物资源能源化河南省工程技术研究中心,河南开封475004

出　　处：《石油化工》2017年第3期327-333,共7页Petrochemical Technology

基　　金：河南大学大学生创新项目(15NB008)

摘　　要：采用拟二级(PSO)和修饰的拟n级(MPnO)动力学模型对La/活性炭吸附脱除二苯并噻吩的动力学数据进行模拟,利用决定系数(R^2)、均方根误差(RMSE)和修正的模型选择因子(AIC_c)来评估模型的优劣,同时通过灵敏度分析对模型参数进行评估。实验结果表明,MPnO动力学模型优于PSO动力学模型;PSO模型的参数可以准确获得,但MPnO模型的参数(反应级数、速率常数和平衡吸附硫容)具有不确定性,由于速率常数和平衡吸附硫容之间存在线性关系,故认为MPnO模型存在过参数化。为了获得更有意义的参数评估,三参数MPnO模型中的平衡吸附硫容通过平衡实验获得,将模型参数减至两个,通过R^2,RMSE和AIC_(cj)评估两参数MPnO模型的优劣。实验结果表明,三参数MPnO模型优于两参数MPnO模型,但动力学数据能够准确评估两参数MPnO模型的参数(反应级数和速率常数)。The adsorption desulfurization process of simulated oils（n-octane containing dibenzothiophene） on La/AC was simulated by means of two kinetic models,namely the pseudo-second-order（PSO） model and the modified pseudo-n-order（MPnO）. The coefficients of determination（R^2）,root-mean-square errors（RMSE） and Akaike information criterion（AICc） were applied to evaluate the simulation. It was showed that,the MPnO model was superior to the PSO model,the parameters of the PSO model could exactly be obtained but the parameters（namely reaction order,rate constant and equilibrium adsorption sulfer capacity） of the MPnO model were uncertain;and there was over-parameterization of the MPnO model due to the linear relationship between the rate constant and the equilibrium adsorption sulfer capacity. To obtain the significant parameter estimation,the adjustable parameters in the MPnO model was reduced to 2. The results demonstrated that the MPnO model with three adjustable parameters was superior to the MPnO model with two adjustable parameters,but kinetics data could exactly estimate the parameters of the MPnO model with two parameters（reaction order and rate constant）.

关 键 词：吸附动力学 拟合度指标 吸附脱硫 二苯并噻吩 

分 类 号：TQ028.1[化学工程]