Deeper Insights into the Bohart–Adams Model in a Fixed-Bed Column

IF 2.9 2区 化学 Q3 CHEMISTRY, PHYSICAL
Qili Hu*, Shuyue Pang, Dan Wang, Yuhang Yang, Hengyuan Liu*
{"title":"Deeper Insights into the Bohart–Adams Model in a Fixed-Bed Column","authors":"Qili Hu*,&nbsp;Shuyue Pang,&nbsp;Dan Wang,&nbsp;Yuhang Yang,&nbsp;Hengyuan Liu*","doi":"10.1021/acs.jpcb.1c03378","DOIUrl":null,"url":null,"abstract":"<p >The Bohart–Adams model was one of the most widely used breakthrough models in column experiments. However, it usually provided a poor fit for the modeling of an asymmetric breakthrough curve. This work proposed the <i>n</i>-order Bohart–Adams and fractal-like Bohart–Adams models. The former indicated a nonlinear decay process of the concentration of the adsorbate or residual capacity of the adsorbent, while the latter reflected a diffusion-limited process on the heterogeneous surfaces. The Bohart–Adams and modified Bohart–Adams models were mathematically equivalent. The applicability of the <i>n</i>-order Bohart–Adams and fractal-like Bohart–Adams models was validated by norfloxacin and Cu(II) adsorption in a fixed-bed column. Compared with the Bohart–Adams model, the two new models had better fitting performance with higher <i>R</i><sup>2</sup> and lower χ<sup>2</sup> values, and all of the residuals were randomly distributed. The fractal-like Bohart–Adams and modified dose–response models provided the best fitting quality for the adsorption of Cu(II) (<i>R</i><sup>2</sup> = 0.9956 and χ<sup>2</sup> = 7.56 × 10<sup>–4</sup>) and norfloxacin (<i>R</i><sup>2</sup> = 0.9991 and χ<sup>2</sup> = 1.37 × 10<sup>–4</sup>), respectively. This work may provide a practical method for the modeling of the asymmetric breakthrough curves.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":"125 30","pages":"8494–8501"},"PeriodicalIF":2.9000,"publicationDate":"2021-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1021/acs.jpcb.1c03378","citationCount":"10","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry B","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jpcb.1c03378","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 10

Abstract

The Bohart–Adams model was one of the most widely used breakthrough models in column experiments. However, it usually provided a poor fit for the modeling of an asymmetric breakthrough curve. This work proposed the n-order Bohart–Adams and fractal-like Bohart–Adams models. The former indicated a nonlinear decay process of the concentration of the adsorbate or residual capacity of the adsorbent, while the latter reflected a diffusion-limited process on the heterogeneous surfaces. The Bohart–Adams and modified Bohart–Adams models were mathematically equivalent. The applicability of the n-order Bohart–Adams and fractal-like Bohart–Adams models was validated by norfloxacin and Cu(II) adsorption in a fixed-bed column. Compared with the Bohart–Adams model, the two new models had better fitting performance with higher R2 and lower χ2 values, and all of the residuals were randomly distributed. The fractal-like Bohart–Adams and modified dose–response models provided the best fitting quality for the adsorption of Cu(II) (R2 = 0.9956 and χ2 = 7.56 × 10–4) and norfloxacin (R2 = 0.9991 and χ2 = 1.37 × 10–4), respectively. This work may provide a practical method for the modeling of the asymmetric breakthrough curves.

Abstract Image

在固定床柱中对Bohart-Adams模型的更深入的了解
Bohart-Adams模型是圆柱实验中应用最广泛的突破模型之一。然而,它通常不能很好地拟合非对称突破曲线的建模。这项工作提出了n阶Bohart-Adams和分形Bohart-Adams模型。前者反映了吸附质浓度或吸附剂剩余容量的非线性衰减过程,后者反映了非均质表面上的扩散限制过程。Bohart-Adams模型和修改后的Bohart-Adams模型在数学上是等价的。通过固定床柱对诺氟沙星和Cu(II)的吸附,验证了n阶Bohart-Adams和分形Bohart-Adams模型的适用性。与Bohart-Adams模型相比,两种新模型具有更好的拟合性能,R2较高,χ2值较低,残差均为随机分布。分形Bohart-Adams模型和改进的剂量-响应模型对铜(II)和诺氟沙星(R2 = 0.9991, χ2 = 7.56 × 10-4)的吸附效果最优。该工作为非对称突破曲线的建模提供了一种实用的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
×
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
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信