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采用响应面法和人工神经网络模型优化巯基乙酰胺修饰壳聚糖对 Pb(II)的去除及其吉布斯自由能。

Optimization of the removal Pb (II) and its Gibbs free energy by thiosemicarbazide modified chitosan using RSM and ANN modeling.

机构信息

Department of Chemical Engineering, University of Science and Technology of Mazandaran, Behshahr, Iran.

Department of Chemical Engineering, University of Science and Technology of Mazandaran, Behshahr, Iran.

出版信息

Int J Biol Macromol. 2019 Oct 15;139:307-319. doi: 10.1016/j.ijbiomac.2019.07.208. Epub 2019 Jul 31.

Abstract

In this research, the removal of Pb (II) by thiosemicarbazide modified chitosan (TSFCS) using RSM and ANN modeling was studied. Also, Gibbs free energy changes of adsorption process based on changes in initial concentration and temperature of solution was investigated. Optimization of these two objectives was performed using NSGA-II and RSM. The regression coefficients of the RSM model for the removal percentage and Gibbs free energy changes were 0.9776 and 0.9864, respectively. Also, the F-values of RSM for the removal efficiency and Gibbs free energy were 81.72365 and 93.78053, respectively, show the proper accuracy of model. The best structure of the neural network with 5 hidden layers, which has 3, 3, 6, 4, 2 neurons in each layers, respectively. Also the transfer function was tansig, tansig, logsig, tansig, tansig for each layer. The initial population of the study for the purpose of optimization with NSGA-II algorithm was consist of 50 samples. The results of two methods NSGA-II and RSM show that the maximum removal efficiency (92%) and minimum ΔG (-5 Kj/mol) are achieved at the highest temperature (55 °C) and lowest initial concentration of solution (10 ppm). The desirability degree for the RSM optimization obtained 0.981.

摘要

在这项研究中,使用响应面法(RSM)和人工神经网络(ANN)建模研究了巯基乙酰胺修饰壳聚糖(TSFCS)对 Pb(II)的去除。此外,还研究了吸附过程的吉布斯自由能变化与初始浓度和溶液温度的变化之间的关系。使用 NSGA-II 和 RSM 对这两个目标进行了优化。RSM 模型对去除率和吉布斯自由能变化的回归系数分别为 0.9776 和 0.9864。此外,RSM 模型对去除效率和吉布斯自由能的 F 值分别为 81.72365 和 93.78053,表明模型具有较高的准确性。神经网络的最佳结构是 5 个隐藏层,每层分别有 3、3、6、4、2 个神经元。传递函数分别为 tansig、tansig、logsig、tansig、tansig。NSGA-II 算法优化的研究初始种群由 50 个样本组成。NSGA-II 和 RSM 两种方法的结果表明,在最高温度(55°C)和最低初始溶液浓度(10ppm)下,去除效率最高(92%),吉布斯自由能最小(-5 Kj/mol)。RSM 优化的理想度为 0.981。

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