Removal of azo dye from aqueous solution by a low-cost activated carbon prepared from coal: adsorption kinetics, isother
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RESEARCH ARTICLE
Removal of azo dye from aqueous solution by a low-cost activated carbon prepared from coal: adsorption kinetics, isotherms study, and DFT simulation Saeed Ullah Jan 1 & Aziz Ahmad 2 & Adnan Ali Khan 1,3 & Saad Melhi 4 & Iftikhar Ahmad 3,5 & Guohua Sun 2 & Cheng-Meng Chen 2 & Rashid Ahmad 1,3 Received: 4 April 2020 / Accepted: 20 October 2020 # Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract The high-risk organic pollutants produced by industries are of growing concern. The highly porous coal-based activated carbon (AC) having a specific surface area of 3452.8 m2/g is used for the adsorption of azo dye from synthetic solution. The sorbent is characterized through BET, SEM, TEM, XRD, FT-IR, TGA, and zeta potential. The sorbent exhibits − 18.7 mV surface charge, which is high enough for making suspension. The maximum dye uptake of 333 mg/g is observed in sorbent under acidic medium. The thermodynamics parameters like ΔG, ΔH, and ΔS were found to be − 12.40 kJ mol−1, 39.66 kJ mol−1, and 174.55 J mol−1 K−1 at 293 K, respectively, revealing that the adsorption mechanism is spontaneous, endothermic, and feasible. The experimental data follows the Langmuir and D–R models. The adsorption follows pseudo 2nd-order kinetics. DFT investigation shows that the dye sorption onto AC in configuration No. 4 (CFG-4) is more effective, as this configuration has high ΔH (enthalpy change) and adsorption energy (Eads). This is confirmed by Mullikan atomic charge transfer phenomenon. Keywords Adsorption . Anionic dyes . Activated carbon . Kinetics . Thermodynamics . DFT
Introduction The presence of hazardous pollutants in water bodies is of great concern for public health (Rovira and Domingo 2019). One of the most menacing water pollutants are synthetic dyes and could be mutagenic or even lethal for the biosphere (Meng
et al. 2019). The release of these dyes into fresh and seawater reservoirs badly influences all sorts of living organisms. Dye is the most visible pollutant and obstructs the penetration of light and decelerates the photosynthesis, which stops or slows down the growth of aquatic plants (Shao et al. 2019). Dyes are extensively used in different industries such as leather, textile,
Saeed Ullah Jan and Aziz Ahmad contributed equally to this work. Responsible Editor: Tito Roberto Cadaval Jr Supplementary Information The online version contains supplementary material available at https://doi.org/10.1007/s11356-02011344-4. * Guohua Sun [email protected] * Cheng-Meng Chen [email protected] * Rashid Ahmad [email protected] 1
Department of Chemistry, University of Malakand, Chakdara, Dir(L) 18800, Pakistan
2
CAS Key Laboratory of Carbon Materials, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, Shanxi Province, People’s Republic of China
3
Centre for Computational Materials Science, University of Malakand, Chakdara, Dir(L) 18800, Pakistan
4
Department of Chemistry, College of Science, University of Bisha, Bisha 61922, Saudi Arabia
5
Department of Physics
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