Integrating machine learning regression and classification for enhanced interpretability in optimizing the Fenton process for real wastewater treatment conditions

IF 9 1区 工程技术 Q1 ENGINEERING, CHEMICAL Separation and Purification Technology Pub Date : 2025-08-14 Epub Date: 2025-02-21 DOI:10.1016/j.seppur.2025.132182
Başak Temur Ergan , Ozgun Yucel , Erhan Gengec , Ebubekir Siddik Aydin
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Abstract

The Fenton process is an important process used in treating textile wastewater such as Jeans-wash wastewater (JWW). Predicting the results of this process according to Fenton parameters is a critical step to evaluating the treatment performance. One of the important ways to improve treatment performance is to use machine learning methods. Therefore, machine learning methods using experimental Fenton treatment data were proposed to mathematically demonstrate the effect of the hydrogen peroxide (H2O2) and iron sulfate (FeSO4) dosage on dye and total organic carbon (TOC) concentration within this research. To increase the predictive capability of machine learning methods, in addition to concentration of H2O2 and FeSO4 inputs, dye and TOC initial concentration values were used as inputs in the machine learning methods. Four regression techniques were used to forecast the dye and TOC concentration outputs of Fenton process, namely Random Forest Regression (RFR), Gaussian Process Regression (GPR), Decision Tree Regression (DTR), and Generalized Additive Model (GAM) in this study. Hold-out and k-fold cross-validation were used in combination to examine the effectiveness of the suggested regression techniques. Among these machine learning methods, GPR was more successful than the other proposed models with predicted the dye concentration as R2 > 0.97 and TOC concentration as R2 > 0.86. Finally, illustration of decision tree classifiers indicating the process operation were placed with interpretable machine learning. With these trees, the input-range/target result relationship depending on the input parameters of the process was established to eliminate the side reactions that occur due to the nature of the Fenton process.

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整合机器学习回归和分类,以增强可解释性,优化芬顿工艺的实际废水处理条件
Fenton法是一种重要的纺织废水处理工艺,如洗牛仔裤废水(JWW)。根据Fenton参数对处理结果进行预测是评价处理效果的关键步骤。提高治疗效果的重要方法之一是使用机器学习方法。因此,在本研究中,提出了使用实验Fenton处理数据的机器学习方法,从数学上证明过氧化氢(H2O2)和硫酸铁(FeSO4)用量对染料和总有机碳(TOC)浓度的影响。为了提高机器学习方法的预测能力,除了H2O2和FeSO4的浓度输入外,还使用染料和TOC的初始浓度值作为机器学习方法的输入。本研究采用随机森林回归(RFR)、高斯过程回归(GPR)、决策树回归(DTR)和广义加性模型(GAM)四种回归技术预测Fenton工艺的染料和TOC浓度输出。结合使用Hold-out和k-fold交叉验证来检查建议的回归技术的有效性。在这些机器学习方法中,GPR比其他提出的模型更成功,预测染料浓度R2 >; 0.97,TOC浓度R2 >; 0.86。最后,用可解释的机器学习对指示过程操作的决策树分类器进行了说明。通过这些树,建立了依赖于过程输入参数的输入范围/目标结果关系,以消除由于芬顿过程的性质而发生的副反应。
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来源期刊
Separation and Purification Technology
Separation and Purification Technology 工程技术-工程:化工
CiteScore
14.00
自引率
12.80%
发文量
2347
审稿时长
43 days
期刊介绍: Separation and Purification Technology is a premier journal committed to sharing innovative methods for separation and purification in chemical and environmental engineering, encompassing both homogeneous solutions and heterogeneous mixtures. Our scope includes the separation and/or purification of liquids, vapors, and gases, as well as carbon capture and separation techniques. However, it's important to note that methods solely intended for analytical purposes are not within the scope of the journal. Additionally, disciplines such as soil science, polymer science, and metallurgy fall outside the purview of Separation and Purification Technology. Join us in advancing the field of separation and purification methods for sustainable solutions in chemical and environmental engineering.
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