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使用磁性壳聚糖羧甲基纤维素多壁碳纳米管复合材料结合遗传算法和回归技术对亚甲基蓝去除进行建模。

Modeling methylene blue removal using magnetic chitosan carboxymethyl cellulose multiwalled carbon nanotube composite with genetic algorithms and regression techniques.

作者信息

Yousefi Mahmood, Fallahizadeh Saeid, Maleki Yosra, Sheikhmohammadi Amir, Rezagholizade-Shirvan Alieh

机构信息

Department of Environmental Health Engineering, School of Public Health, Khoy University of Medical Sciences, Khoy, Iran.

Department of Environmental Health Engineering, Faculty of Public Health, Yasuj University of Medical Sciences, Yasuj, Iran.

出版信息

Sci Rep. 2025 Jul 1;15(1):20705. doi: 10.1038/s41598-025-07659-2.

Abstract

The purpose of this study was to model and optimize the removal of methylene blue using a novel magnetic chitosan-carboxymethyl cellulose/multiwalled carbon nanotubes and to identify the most significant parameters influencing the adsorption efficiency. Genetic Algorithm and other statistically advanced techniques such as Gradient Boosting Regressor, and Maximum Likelihood Estimation were used to extract the necessary process parameters and the factors that posed a major impact on the adsorption efficiency. The following metrics showed the secondary model, trained using the Gradient Boosting Regressor technique, had a slightly better accuracy of 0.99, Root Mean Square Error of 0.68 and Mean Absolute Error of 0.49 compared to the Maximum Likelihood Estimation of 0.94 in the training sample and 0.95 in testing. Gradient Boosting Regressor model was more stable and did not overfit, there was some sign of overfitting in Maximum Likelihood Estimation. From the feature importance X2 (initial methylene blue concentration) was the most important feature while X1 (contact time) and X4 (adsorbent amount) were not too important and can be eliminated from the models. The result of Genetic Algorithm analysis also proved the model has converged to the optimal solution effectively, the best solution of X1 = 49.41, X2 = 110.62, X3 = 11.85 and X4 = 20 which gives the maximum removal efficiency = 94.64% of methylene blue. These steps also supported the increased importance of X2, with a positive coefficient of 0.72 for improved removal efficiency as well as X3 which correlated positively with a coefficient of 0.66 in this regard. The adsorbent showed stability in residuals in the training set equal to Mean Residual = 0, and Root Mean Square Error of 0.68, while testing gave the Mean residual = 0.15, and the Root Mean Square Error of 2.33. The major conclusion drawn is that the algorithm working on the Gradient Boosting Regressor was more efficient, and had a higher accuracy margin as well as a more stable model than Maximum Likelihood Estimation. The result indicated that the adsorbent possessed a higher removal efficiency of 94.64%, thus, its application in the removal of dyes from wastewater could be seen as possible.

摘要

本研究的目的是对使用新型磁性壳聚糖 - 羧甲基纤维素/多壁碳纳米管去除亚甲基蓝的过程进行建模和优化,并确定影响吸附效率的最重要参数。使用遗传算法以及其他统计先进技术,如梯度提升回归器和最大似然估计,来提取必要的工艺参数以及对吸附效率有重大影响的因素。以下指标表明,与训练样本中最大似然估计的0.94和测试中的0.95相比,使用梯度提升回归器技术训练的二次模型具有略高的精度,为0.99,均方根误差为0.68,平均绝对误差为0.49。梯度提升回归器模型更稳定,不存在过拟合问题,而最大似然估计存在一些过拟合迹象。从特征重要性来看,X2(初始亚甲基蓝浓度)是最重要的特征,而X1(接触时间)和X4(吸附剂用量)不太重要,可以从模型中剔除。遗传算法分析结果也证明该模型已有效地收敛到最优解,X1 = 49.41、X2 = 110.62、X3 = 11.85和X4 = 20的最佳解给出了亚甲基蓝的最大去除效率 = 94.64%。这些步骤也支持了X2重要性的增加,其对提高去除效率的正系数为0.72,以及X3在这方面的正相关系数为0.66。在训练集中,吸附剂的残差显示出稳定性,平均残差 = 0,均方根误差为0.68,而测试时平均残差 = 0.15,均方根误差为2.33。得出的主要结论是,基于梯度提升回归器的算法比最大似然估计更高效,具有更高的精度余量以及更稳定的模型。结果表明该吸附剂具有94.64%的较高去除效率,因此,其在从废水中去除染料方面的应用是可行的。

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