{"title":"基于中心复合设计和人工神经网络的生物聚合物壳聚糖负载双金属铜-零价铁纳米颗粒同时去除活性紫5和酸性红98的优化建模","authors":"Fahimehsadat Mostafavi Neishaboori, Mahmoud Reza Sohrabi, Fereshteh Motiee, Mehran davallo","doi":"10.1007/s10924-025-03538-z","DOIUrl":null,"url":null,"abstract":"<div><p>The discharge of untreated wastewater containing dyes causes water pollution. The present study evaluated the simultaneous removal efficiency of Reactive Violet 5 (RV5) and Acid Red 98 (AR98) utilizing nanosized zero-valent iron (nZVI) incorporated with chitosan (CS) and copper (Cu) (nZVI-CS-Cu) as a novel adsorbent for the concurrent elimination of mentioned dyes. Identification of the synthesized adsorbent was studied by SEM, EDX, FTIR, XRD, and BET. The amorphous structure of nZVI-CS-Cu was proven by XRD (2θ = 44˚). The BET surface area was 110.53 m<sup>2</sup>g<sup>−1</sup>. Solution pH, adsorbent dosage, contact time, initial concentration of dye, and temperature were various factors for investigating their effects on the adsorption process using central composite design (CCD). To obtain this, a linear model was selected as the best model. According to the findings, at the optimum conditions, including pH of 3.0, sorbent dosage of 0.3 g, contact time of 15 min, dye concentration of 20 mg/L, and temperature of 40 ˚C, the maximum removal efficiency was 87.80% (actual) and 87.97% (predicted). In the CCD model, adjusted R<sup>2</sup> and R<sup>2</sup> predicted were 0.9670 and 0.9634, respectively. The significance of the model was confirmed by the F-value of 288.56 and a p-value < 0.0001. Feed-forward back propagation neural network (FFBP-NN) with Levenberg–Marquardt (LM) and scaled conjugate gradient (SCG) as training algorithms were applied for predicting the percentage of dye removal. After testing different layers (2 and 3) and neurons (2, 3, 4, 5, 6, 7, 8, 9), the neurons of 8 in hidden layer 3 with mean square error (MSE) of 4.01 × 10<sup>–20</sup> for the LM algorithm, and neurons of 7 in the layer of 3 with MSE of 1.18 for the SCG algorithm were selected as the best layers and neurons. Excellent modeling with percent recovery close to 100 for LM (training: 100.68%, validation: 100.89%, and testing: 100.85%) and SCG (training: 100.20%, validation: 99.84%, and testing: 100.13%) was obtained. The Langmuir model with R<sup>2</sup> of 0.9993 and q<sub>max</sub> of 52.91 mg/g and pseudo-second-order kinetics with R<sup>2</sup> of 0.9996 followed the adsorption isotherm and kinetic, respectively. It can be said that the proposed adsorbent is simple and economical with good performance, which can be used to remove different dyes from wastewater.</p></div>","PeriodicalId":659,"journal":{"name":"Journal of Polymers and the Environment","volume":"33 5","pages":"2402 - 2424"},"PeriodicalIF":4.7000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Optimization and Modeling of Simultaneous Removal of Reactive Violet 5 and Acid Red 98 Using Bimetallic Copper-Zero-Valent Iron Nanoparticles Supported on Biopolymer Chitosan Based on a Central Composite Design and Artificial Neural Network\",\"authors\":\"Fahimehsadat Mostafavi Neishaboori, Mahmoud Reza Sohrabi, Fereshteh Motiee, Mehran davallo\",\"doi\":\"10.1007/s10924-025-03538-z\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The discharge of untreated wastewater containing dyes causes water pollution. The present study evaluated the simultaneous removal efficiency of Reactive Violet 5 (RV5) and Acid Red 98 (AR98) utilizing nanosized zero-valent iron (nZVI) incorporated with chitosan (CS) and copper (Cu) (nZVI-CS-Cu) as a novel adsorbent for the concurrent elimination of mentioned dyes. Identification of the synthesized adsorbent was studied by SEM, EDX, FTIR, XRD, and BET. The amorphous structure of nZVI-CS-Cu was proven by XRD (2θ = 44˚). The BET surface area was 110.53 m<sup>2</sup>g<sup>−1</sup>. Solution pH, adsorbent dosage, contact time, initial concentration of dye, and temperature were various factors for investigating their effects on the adsorption process using central composite design (CCD). To obtain this, a linear model was selected as the best model. According to the findings, at the optimum conditions, including pH of 3.0, sorbent dosage of 0.3 g, contact time of 15 min, dye concentration of 20 mg/L, and temperature of 40 ˚C, the maximum removal efficiency was 87.80% (actual) and 87.97% (predicted). In the CCD model, adjusted R<sup>2</sup> and R<sup>2</sup> predicted were 0.9670 and 0.9634, respectively. The significance of the model was confirmed by the F-value of 288.56 and a p-value < 0.0001. Feed-forward back propagation neural network (FFBP-NN) with Levenberg–Marquardt (LM) and scaled conjugate gradient (SCG) as training algorithms were applied for predicting the percentage of dye removal. After testing different layers (2 and 3) and neurons (2, 3, 4, 5, 6, 7, 8, 9), the neurons of 8 in hidden layer 3 with mean square error (MSE) of 4.01 × 10<sup>–20</sup> for the LM algorithm, and neurons of 7 in the layer of 3 with MSE of 1.18 for the SCG algorithm were selected as the best layers and neurons. Excellent modeling with percent recovery close to 100 for LM (training: 100.68%, validation: 100.89%, and testing: 100.85%) and SCG (training: 100.20%, validation: 99.84%, and testing: 100.13%) was obtained. The Langmuir model with R<sup>2</sup> of 0.9993 and q<sub>max</sub> of 52.91 mg/g and pseudo-second-order kinetics with R<sup>2</sup> of 0.9996 followed the adsorption isotherm and kinetic, respectively. It can be said that the proposed adsorbent is simple and economical with good performance, which can be used to remove different dyes from wastewater.</p></div>\",\"PeriodicalId\":659,\"journal\":{\"name\":\"Journal of Polymers and the Environment\",\"volume\":\"33 5\",\"pages\":\"2402 - 2424\"},\"PeriodicalIF\":4.7000,\"publicationDate\":\"2025-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Polymers and the Environment\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10924-025-03538-z\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"ENGINEERING, ENVIRONMENTAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Polymers and the Environment","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10924-025-03538-z","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, ENVIRONMENTAL","Score":null,"Total":0}
Optimization and Modeling of Simultaneous Removal of Reactive Violet 5 and Acid Red 98 Using Bimetallic Copper-Zero-Valent Iron Nanoparticles Supported on Biopolymer Chitosan Based on a Central Composite Design and Artificial Neural Network
The discharge of untreated wastewater containing dyes causes water pollution. The present study evaluated the simultaneous removal efficiency of Reactive Violet 5 (RV5) and Acid Red 98 (AR98) utilizing nanosized zero-valent iron (nZVI) incorporated with chitosan (CS) and copper (Cu) (nZVI-CS-Cu) as a novel adsorbent for the concurrent elimination of mentioned dyes. Identification of the synthesized adsorbent was studied by SEM, EDX, FTIR, XRD, and BET. The amorphous structure of nZVI-CS-Cu was proven by XRD (2θ = 44˚). The BET surface area was 110.53 m2g−1. Solution pH, adsorbent dosage, contact time, initial concentration of dye, and temperature were various factors for investigating their effects on the adsorption process using central composite design (CCD). To obtain this, a linear model was selected as the best model. According to the findings, at the optimum conditions, including pH of 3.0, sorbent dosage of 0.3 g, contact time of 15 min, dye concentration of 20 mg/L, and temperature of 40 ˚C, the maximum removal efficiency was 87.80% (actual) and 87.97% (predicted). In the CCD model, adjusted R2 and R2 predicted were 0.9670 and 0.9634, respectively. The significance of the model was confirmed by the F-value of 288.56 and a p-value < 0.0001. Feed-forward back propagation neural network (FFBP-NN) with Levenberg–Marquardt (LM) and scaled conjugate gradient (SCG) as training algorithms were applied for predicting the percentage of dye removal. After testing different layers (2 and 3) and neurons (2, 3, 4, 5, 6, 7, 8, 9), the neurons of 8 in hidden layer 3 with mean square error (MSE) of 4.01 × 10–20 for the LM algorithm, and neurons of 7 in the layer of 3 with MSE of 1.18 for the SCG algorithm were selected as the best layers and neurons. Excellent modeling with percent recovery close to 100 for LM (training: 100.68%, validation: 100.89%, and testing: 100.85%) and SCG (training: 100.20%, validation: 99.84%, and testing: 100.13%) was obtained. The Langmuir model with R2 of 0.9993 and qmax of 52.91 mg/g and pseudo-second-order kinetics with R2 of 0.9996 followed the adsorption isotherm and kinetic, respectively. It can be said that the proposed adsorbent is simple and economical with good performance, which can be used to remove different dyes from wastewater.
期刊介绍:
The Journal of Polymers and the Environment fills the need for an international forum in this diverse and rapidly expanding field. The journal serves a crucial role for the publication of information from a wide range of disciplines and is a central outlet for the publication of high-quality peer-reviewed original papers, review articles and short communications. The journal is intentionally interdisciplinary in regard to contributions and covers the following subjects - polymers, environmentally degradable polymers, and degradation pathways: biological, photochemical, oxidative and hydrolytic; new environmental materials: derived by chemical and biosynthetic routes; environmental blends and composites; developments in processing and reactive processing of environmental polymers; characterization of environmental materials: mechanical, physical, thermal, rheological, morphological, and others; recyclable polymers and plastics recycling environmental testing: in-laboratory simulations, outdoor exposures, and standardization of methodologies; environmental fate: end products and intermediates of biodegradation; microbiology and enzymology of polymer biodegradation; solid-waste management and public legislation specific to environmental polymers; and other related topics.