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一种新型氮掺杂活性炭对各种染料和六价铬离子吸附的建模

Modelling of a new form of nitrogen doped activated carbon for adsorption of various dyes and hexavalent chromium ions.

作者信息

El-Nemr Mohamed A, Aigbe Uyiosa Osagie, Ukhurebor Kingsley Eghonghon, Obodo Kingsley, Awe Adetunji Ajibola, Hassaan Mohamed A, Ragab Safaa, El Nemr Ahmed

机构信息

Department of Chemical Engineering, Faculty of Engineering, Minia University, Minia, Egypt.

Department of Mathematics and Physics, Cape Peninsula University of Technology, Cape Town, South Africa.

出版信息

Sci Rep. 2025 Jan 31;15(1):3896. doi: 10.1038/s41598-025-87398-6.

DOI:10.1038/s41598-025-87398-6
PMID:39890988
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11785975/
Abstract

This study reports a new form of nitrogen-doped activated carbon (AC5-600) produced from a blend of sawdust (SD) and fish waste (FW) treated with urea and ZnCl for the adsorption of toxic metals and dyes. The adsorbent was also explored in the treatment of acid brown 14 (AB14) and acid orange 7 (AO7) dye molecules and hexavalent chromium (Cr) ions. The pH controls the sorption of individual contaminants, with an observed superlative % of individual contaminants removed at pH 1.5. Removal at pH was credited to the electrostatic interaction (EI) between the anion dyes and Cr species at this pH and the protonated sites accessible on the AC5-600 adsorbent surface. Based on the error values obtained from the non-linear modelling (NLM) of the kinetic and isotherm models, the Elovich (ELM-AB14 and Cr), pseudo-first- (PFOM-AB14) and second-order models (PSOM-AB14, AO7 and Cr) and the Freundlich (FRHM) model were found to ideally define the sorption of the various contaminants. The determined maximum sorption capacity (Q) based on the NLM was 1114, 1929 and 318 mg.g for AB14 dye, AO7 dye and Cr ions, respectively. Based on the computational adsorption calculations, the sorption energies for the AO7 and AB14 dyes were -4.492 and -8.090 eV and 2.563, 1.789, 1.226 and 1.928 eV for Cr, CrO, CrO, and CrOH species. AB14 and AO7 dyes and Cr ions adsorption to synthesised AC5-600 was predicted employing the response surface methodology (RSM) and artificial neural network (ANN) models. The ANN model was more effective in predicting AB14 and AO7 dyes and Cr ions adsorption than the RSM, and it was highly applicable in the sorption process.

摘要

本研究报道了一种新型氮掺杂活性炭（AC5 - 600），它由锯末（SD）和鱼废料（FW）的混合物经尿素和ZnCl处理后制成，用于吸附有毒金属和染料。还对该吸附剂用于处理酸性棕14（AB14）和酸性橙7（AO7）染料分子以及六价铬（Cr）离子进行了探索。pH值控制着单个污染物的吸附，在pH 1.5时观察到单个污染物的去除率最高。在该pH值下的去除归因于阴离子染料与Cr物种之间的静电相互作用（EI）以及AC5 - 600吸附剂表面可利用的质子化位点。基于从动力学和等温线模型的非线性建模（NLM）获得的误差值，发现埃洛维奇模型（ELM - AB14和Cr）、伪一级模型（PFOM - AB14）和二级模型（PSOM - AB14、AO7和Cr）以及弗伦德利希模型（FRHM）能够理想地描述各种污染物的吸附情况。基于NLM确定的AB14染料、AO7染料和Cr离子的最大吸附容量（Q）分别为1114、1929和318 mg/g。基于计算吸附计算，AO7和AB14染料的吸附能分别为 - 4.492和 - 8.090 eV，Cr、CrO、CrO和CrOH物种的吸附能分别为2.563、1.789、1.226和1.928 eV。采用响应面法（RSM）和人工神经网络（ANN）模型预测了AB14和AO7染料以及Cr离子对合成的AC5 -

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