用机器学习方法探索蛋壳及其热解产物去除环丙沙星的功效

IF 2.2 4区 化学 Q2 Engineering Chemical Papers Pub Date : 2024-09-19 DOI:10.1007/s11696-024-03687-w
Md. Rezwanul Islam, Qingyue Wang, Sumaya Sharmin, Weiqian Wang
{"title":"用机器学习方法探索蛋壳及其热解产物去除环丙沙星的功效","authors":"Md. Rezwanul Islam,&nbsp;Qingyue Wang,&nbsp;Sumaya Sharmin,&nbsp;Weiqian Wang","doi":"10.1007/s11696-024-03687-w","DOIUrl":null,"url":null,"abstract":"<div><p>This study investigated the efficacy of utilizing eggshells and their pyrolyzed derivatives, within the temperature range of 400–800 °C, as adsorbents for ciprofloxacin (CIP) removal. Experimental data were analyzed using various machine learning (ML) algorithms, viz. linear regression, random forest, support vector machines, decision trees, and k-nearest neighbor to predict performance. Results demonstrated that pyrolyzed eggshells at 600 °C (PES-600) exhibited the highest CIP removal rate (86.06 ± 2.25%). Optimal performance was consistently observed at an initial CIP concentration of 125 mg/L, with the order of PES-600 &gt; PES-500 &gt; PES-400 &gt; PES-700 &gt; eggshells &gt; PES-800. Adsorption capacity peaked at pH 5 (5.84 ± 0.1 mg/g), attributed to interactions including hydrogen bonding, π–π interaction, and ion exchange. Scanning electron microscope images revealed that PES-600 had the highest number of pores, resulting in a smoother surface post-adsorption. Langmuir isotherm model fitting was best for ES, PES-700, and PES-800, while Freundlich isotherm was suitable for PES-400, PES-500, and PES-600. PES-600 showed the best fit with the pseudo-second-order kinetic model. Characterization analysis highlighted the significance of functional groups like C = O, C = C, and –CH groups in aromatic rings. ML algorithms demonstrated remarkable performance with an accuracy level of 90.28%. In conclusion, pyrolyzed eggshells can effectively remove ciprofloxacin (CIP) from wastewater, with optimal performance predicted by the random forest machine learning algorithm when considering real environmental factors.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"78 15","pages":"8433 - 8447"},"PeriodicalIF":2.2000,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Exploring the efficacy of eggshell and its pyrolyzed products for ciprofloxacin removal with machine learning insights\",\"authors\":\"Md. Rezwanul Islam,&nbsp;Qingyue Wang,&nbsp;Sumaya Sharmin,&nbsp;Weiqian Wang\",\"doi\":\"10.1007/s11696-024-03687-w\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>This study investigated the efficacy of utilizing eggshells and their pyrolyzed derivatives, within the temperature range of 400–800 °C, as adsorbents for ciprofloxacin (CIP) removal. Experimental data were analyzed using various machine learning (ML) algorithms, viz. linear regression, random forest, support vector machines, decision trees, and k-nearest neighbor to predict performance. Results demonstrated that pyrolyzed eggshells at 600 °C (PES-600) exhibited the highest CIP removal rate (86.06 ± 2.25%). Optimal performance was consistently observed at an initial CIP concentration of 125 mg/L, with the order of PES-600 &gt; PES-500 &gt; PES-400 &gt; PES-700 &gt; eggshells &gt; PES-800. Adsorption capacity peaked at pH 5 (5.84 ± 0.1 mg/g), attributed to interactions including hydrogen bonding, π–π interaction, and ion exchange. Scanning electron microscope images revealed that PES-600 had the highest number of pores, resulting in a smoother surface post-adsorption. Langmuir isotherm model fitting was best for ES, PES-700, and PES-800, while Freundlich isotherm was suitable for PES-400, PES-500, and PES-600. PES-600 showed the best fit with the pseudo-second-order kinetic model. Characterization analysis highlighted the significance of functional groups like C = O, C = C, and –CH groups in aromatic rings. ML algorithms demonstrated remarkable performance with an accuracy level of 90.28%. In conclusion, pyrolyzed eggshells can effectively remove ciprofloxacin (CIP) from wastewater, with optimal performance predicted by the random forest machine learning algorithm when considering real environmental factors.</p></div>\",\"PeriodicalId\":513,\"journal\":{\"name\":\"Chemical Papers\",\"volume\":\"78 15\",\"pages\":\"8433 - 8447\"},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2024-09-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Papers\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s11696-024-03687-w\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Engineering\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Papers","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11696-024-03687-w","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Engineering","Score":null,"Total":0}
引用次数: 0

摘要

本研究调查了在 400-800 °C 温度范围内利用蛋壳及其热解衍生物作为吸附剂去除环丙沙星(CIP)的功效。实验数据采用各种机器学习(ML)算法进行分析,即线性回归、随机森林、支持向量机、决策树和 K 近邻,以预测性能。结果表明,600 °C 的热解蛋壳(PES-600)具有最高的 CIP 去除率(86.06 ± 2.25%)。在初始 CIP 浓度为 125 毫克/升时,可持续观察到最佳性能,顺序依次为 PES-600 > PES-500 > PES-400 > PES-700 > 蛋壳 > PES-800。吸附容量在 pH 值为 5 时达到峰值(5.84 ± 0.1 mg/g),这归因于包括氢键、π-π 相互作用和离子交换在内的相互作用。扫描电子显微镜图像显示,PES-600 的孔隙数量最多,因此吸附后表面更光滑。ES、PES-700 和 PES-800 的 Langmuir 等温线模型拟合效果最好,而 PES-400、PES-500 和 PES-600 则适合 Freundlich 等温线。PES-600 与假二阶动力学模型的拟合度最高。表征分析强调了芳香环中 C = O、C = C 和 -CH 基团等官能团的重要性。ML 算法表现出色,准确率高达 90.28%。总之,热解蛋壳可有效去除废水中的环丙沙星(CIP),在考虑实际环境因素的情况下,随机森林机器学习算法可预测其最佳性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

摘要图片

摘要图片

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Exploring the efficacy of eggshell and its pyrolyzed products for ciprofloxacin removal with machine learning insights

This study investigated the efficacy of utilizing eggshells and their pyrolyzed derivatives, within the temperature range of 400–800 °C, as adsorbents for ciprofloxacin (CIP) removal. Experimental data were analyzed using various machine learning (ML) algorithms, viz. linear regression, random forest, support vector machines, decision trees, and k-nearest neighbor to predict performance. Results demonstrated that pyrolyzed eggshells at 600 °C (PES-600) exhibited the highest CIP removal rate (86.06 ± 2.25%). Optimal performance was consistently observed at an initial CIP concentration of 125 mg/L, with the order of PES-600 > PES-500 > PES-400 > PES-700 > eggshells > PES-800. Adsorption capacity peaked at pH 5 (5.84 ± 0.1 mg/g), attributed to interactions including hydrogen bonding, π–π interaction, and ion exchange. Scanning electron microscope images revealed that PES-600 had the highest number of pores, resulting in a smoother surface post-adsorption. Langmuir isotherm model fitting was best for ES, PES-700, and PES-800, while Freundlich isotherm was suitable for PES-400, PES-500, and PES-600. PES-600 showed the best fit with the pseudo-second-order kinetic model. Characterization analysis highlighted the significance of functional groups like C = O, C = C, and –CH groups in aromatic rings. ML algorithms demonstrated remarkable performance with an accuracy level of 90.28%. In conclusion, pyrolyzed eggshells can effectively remove ciprofloxacin (CIP) from wastewater, with optimal performance predicted by the random forest machine learning algorithm when considering real environmental factors.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Chemical Papers
Chemical Papers Chemical Engineering-General Chemical Engineering
CiteScore
3.30
自引率
4.50%
发文量
590
期刊介绍: Chemical Papers is a peer-reviewed, international journal devoted to basic and applied chemical research. It has a broad scope covering the chemical sciences, but favors interdisciplinary research and studies that bring chemistry together with other disciplines.
期刊最新文献
Chalky limestone as sustainable water purification from eriochrome black T: kinetics, isotherm, and equilibrium O-Allyloxy chalcone derivatives: design, synthesis, anticancer activity, network pharmacology and molecular docking Natural and synthetic polymers as effective corrosion inhibitors: a concise review Development of molecularly imprinted polymer-based dispersive micro-solid-phase extraction for the selective extraction of histamine from canned tuna fish samples prior to its determination by GC–FID Virtual screening, docking, molecular dynamics study of efflux pump inhibitors against Helicobacter pylori
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1