Surface properties of activated carbon fibers obtained from polyacrylonitrile and methyl acrylate: Experimental and simulation studies for lead and acid blue 25 dye adsorption from water

被引:1
作者
Mendoza-Castillo, D. I. [1 ,2 ]
Tapia-Picazo, J. C. [1 ]
Manso-Tapanes, G. [1 ]
Palomino-Asencio, L. [3 ]
Garcia-Hernandez, E. [4 ]
Bonilla-Petriciolet, A. [1 ]
机构
[1] Inst Tecnol Aguascalientes, Aguascalientes 20256, Mexico
[2] CONAHCYT, Mexico City 03940, Mexico
[3] Inst Tecnol Super Tlatlauquitepec, Tecnol Nacl Mexico, Puebla 73906, Mexico
[4] Tecnol Nacl Mex Inst Tecnol Super Zacapoaxtla, Tecnol Nacl Mexico, Puebla 73680, Mexico
关键词
Heavy metal depollution; Decolorization; Carbon-based adsorbent; REMOVAL; WASTE; OPTIMIZATION; AGGREGATION; NANOFIBERS; GRADIENT; IONS; PB2+;
D O I
10.1016/j.molliq.2024.125621
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Activated carbon fibers were prepared using a methyl acrylate/polyacrylonitrile (MA/PAN) system and H3PO4 3 PO 4 activation. These fibers were assessed to adsorb AB25 and Pb2+ 2+ from aqueous solutions, and DFT calculations were carried out to determine the main surface interactions that caused the removal of both pollutants. The results showed that AB25 and Pb2+ 2+ adsorption on these activated carbon fibers was endothermic, with maximum experimental adsorption capacities of 0.012- 0.023 and 0.248- 0.306 mmol/g at 20 - 40 degrees C. Pb2+ 2+ adsorption properties of these fibers outperformed those of other carbonaceous materials utilized in the depollution of metallic cations, whereas their removal effectiveness was less competitive to separate AB25 dye molecules. A double-site monolayer model was applied to correlate the experimental Pb2+ 2+ isotherms, while AB25 adsorption on activated carbon fibers was simulated using a one-site multilayer model. Oxygenated acidic (i.e., carboxylic and phenolic) and phosphate-carbon functional groups were the main binding sites to adsorb these pollutants. The adsorption energies of the tested systems, the identification of the most feasible binding positions of the tested adsorbates on the activated carbon fiber surface, and the role of hydrogen bonding in the corresponding adsorption mechanisms were discussed using DFT calculations. These results contribute to the valorization and application of engineered materials such as activated carbon fibers for water depollution.
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页数:11
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[41]   Efficient Removal of Phenol Red Dye from Polluted Water Using Sustainable Low-Cost Sewage Sludge Activated Carbon: Adsorption and Reusability Studies [J].
Aljubiri, Salha M. ;
Younes, Ayman A. O. ;
Alosaimi, Eid H. ;
Abdel-Daiem, Mahmoud M. ;
Abdel-Salam, Enas T. ;
El-Shwiniy, Walaa H. .
MOLECULES, 2024, 29 (24)
[42]   Adsorption of methylene blue from aqueous solution using poly(2-acrylamido-2-methyl-1-propanesulfonic acid-co-2-hydroxyethyl methacrylate) hydrogel crosslinked by activated carbon [J].
Ilgin, Pinar ;
Onder, Alper ;
Kivanc, Mehmet Riza ;
Ozay, Hava ;
Ozay, Ozgur .
JOURNAL OF MACROMOLECULAR SCIENCE PART A-PURE AND APPLIED CHEMISTRY, 2023, 60 (02) :135-149
[43]   High surface area activated carbon from a pineapple (ananas comosus) crown via microwave-ZnCl2 activation for crystal violet and methylene blue dye removal: adsorption optimization and mechanism [J].
Hapiz, Ahmad ;
Jawad, Ali H. ;
Wilson, Lee D. ;
ALOthman, Zeid A. .
INTERNATIONAL JOURNAL OF PHYTOREMEDIATION, 2024, 26 (03) :324-338
[44]   High-Surface-Area-Activated Carbon Derived from Mango Peels and Seeds Wastes via Microwave-Induced ZnCl2 Activation for Adsorption of Methylene Blue Dye Molecules: Statistical Optimization and Mechanism [J].
Razali, Nur Shakinah ;
Abdulhameed, Ahmed Saud ;
Jawad, Ali H. ;
ALOthman, Zeid A. ;
Yousef, Tarek A. ;
Al-Duaij, Omar K. ;
Alsaiari, Norah Salem .
MOLECULES, 2022, 27 (20)
[45]   New insights on the adsorption of CI-Reactive Red 141 dye using activated carbon prepared from the ZnCl2-treated waste cotton fibers: Statistical physics, DFT,COSMO-RS, and AIM studies [J].
Behloul, Hamza ;
Ferkous, Hana ;
Bougdah, Nabil ;
Djellali, Souad ;
Alam, Manawwer ;
Djilani, Chahrazed ;
Sedik, Amel ;
Lerari, Djahida ;
Jeon, Byong-Hun ;
Benguerba, Yacine .
JOURNAL OF MOLECULAR LIQUIDS, 2022, 364