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戊二醛和对苯二甲醛交联壳聚糖从水溶液中去除阳离子和阴离子染料:实验、DFT、动力学和热力学研究。

Glutaraldehyde and terephthaldehyde-crosslinked chitosan for cationic and anionic dyes removal from aqueous solutions: Experimental, DFT, kinetic and thermodynamic studies.

机构信息

Ministry of Education, Educational Directorate of Karbala, Iraq; University of Warith Al-Anbiyaa, College of Nursing, Karbala, Iraq.

Al-Safwa University College, Department of Pharmacy, Karbala, Iraq.

出版信息

Int J Biol Macromol. 2024 Mar;262(Pt 1):129730. doi: 10.1016/j.ijbiomac.2024.129730. Epub 2024 Jan 26.

DOI:10.1016/j.ijbiomac.2024.129730
PMID:38280694
Abstract

Novel chitosan polymers were synthesized using two cross-linkers, Glutaraldehyde and Terephthaldehyde, to enhance stability and efficiency. Characterization techniques (XRD, FTIR, FE-SEM, TGA, DTG, BJH, and BET) confirmed successful synthesis. These polymers were employed as adsorbents for removing Malachite Green (MG) and Congo Red (CR) dyes from water. Batch experiments and DFT calculations investigated the adsorption process, thermodynamics, and kinetics. Results showed the CSGT-III polymer achieved the highest removal efficiency. For initial dye concentrations ([CR] = 50 mg/L, [MG] = 20 mg/L) and adsorbent doses (0.8 g/L for CR, 0.4 g/L for MG), removal efficiencies were 96.99 % for CR and 99.07 % for MG. Thermodynamic analysis confirmed the spontaneous nature of adsorption, and the process was endothermic for both dyes. The Langmuir model fitted adsorption isotherms well, indicating a homogeneous surface. Kinetic analysis revealed a pseudo-second-order model for both dyes.

摘要

使用两种交联剂戊二醛和对苯二甲醛合成了新型壳聚糖聚合物,以提高其稳定性和效率。通过 XRD、FTIR、FE-SEM、TGA、DTG、BJH 和 BET 等表征技术证实了合成的成功。这些聚合物被用作吸附剂,用于从水中去除孔雀石绿 (MG) 和刚果红 (CR) 染料。通过批量实验和 DFT 计算研究了吸附过程、热力学和动力学。结果表明,CSGT-III 聚合物的去除效率最高。对于初始染料浓度 ([CR] = 50 mg/L,[MG] = 20 mg/L) 和吸附剂剂量 (CR 为 0.8 g/L,MG 为 0.4 g/L),CR 的去除效率为 96.99%,MG 的去除效率为 99.07%。热力学分析证实了吸附的自发性,并且该过程对两种染料都是吸热的。Langmuir 模型很好地拟合了吸附等温线,表明表面是均匀的。动力学分析表明,两种染料均符合准二级动力学模型。

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