Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations

Because of its acute toxicity and high mobility, the hexavalent chromium [Cr (VI)] found in wastewater is a risk to the environment. In this study, activated carbon was produced from teakwood sawdust, which was chemically modified using ZnCl2 (AT) as an efficient adsorbent for Cr (VI) removal from a...

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Fecha de publicación:: 2020

Institución:: Universidad de Medellín

Repositorio:: Repositorio UDEM

Idioma:: eng

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network_acronym_str	REPOUDEM2
network_name_str	Repositorio UDEM
repository_id_str
dc.title.none.fl_str_mv	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
title	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
spellingShingle	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations Adsorption Biomass Computational simulation Hexavalent chromium Kinetics Activated carbon Adsorption Chemical analysis Chlorine compounds Computation theory Computational chemistry Density functional theory Functional groups Isotherms Surface diffusion Zinc chloride Adsorption capacities Adsorption mechanism Chemically modified Computer calculation Equilibrium parameters Hexavalent chromium Intra-particle diffusion Langmuir isotherm models Chromium compounds
title_short	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
title_full	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
title_fullStr	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
title_full_unstemmed	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
title_sort	Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations
dc.subject.spa.fl_str_mv	Adsorption Biomass Computational simulation Hexavalent chromium Kinetics
topic	Adsorption Biomass Computational simulation Hexavalent chromium Kinetics Activated carbon Adsorption Chemical analysis Chlorine compounds Computation theory Computational chemistry Density functional theory Functional groups Isotherms Surface diffusion Zinc chloride Adsorption capacities Adsorption mechanism Chemically modified Computer calculation Equilibrium parameters Hexavalent chromium Intra-particle diffusion Langmuir isotherm models Chromium compounds
dc.subject.keyword.eng.fl_str_mv	Activated carbon Adsorption Chemical analysis Chlorine compounds Computation theory Computational chemistry Density functional theory Functional groups Isotherms Surface diffusion Zinc chloride Adsorption capacities Adsorption mechanism Chemically modified Computer calculation Equilibrium parameters Hexavalent chromium Intra-particle diffusion Langmuir isotherm models Chromium compounds
description	Because of its acute toxicity and high mobility, the hexavalent chromium [Cr (VI)] found in wastewater is a risk to the environment. In this study, activated carbon was produced from teakwood sawdust, which was chemically modified using ZnCl2 (AT) as an efficient adsorbent for Cr (VI) removal from aqueous systems. Batch experiments were conducted to identify kinetic, diffusional, and equilibrium parameters. In addition, to better understand the adsorption process, computer calculations were conducted based on the density functional theory (DFT). A maximum adsorption capacity of 72.46 mg g-1 was achieved by adapting experimental data to the Langmuir isotherm model. Intraparticle diffusion was further identified through a three-dimensional diffusion model, which revealed that it was ruled by intraparticular diffusion based on surface diffusion, with surface diffusion coefficient (Ds) values ranging from 1.29 × 10-10 to 0.78 × 10-10 cm2 s-1. Finally, computational chemistry calculations and an FTIR analysis determined that oxygenated functional groups, lactone, semiquinone, phenols, and carboxylic acids were involved in the process of Cr (VI) adsorption on AT. Moreover, the main adsorption mechanisms were found to be complexation, electrostatic interaction, and reduction of Cr (VI) to Cr (III). © 2020 Elsevier Ltd.
publishDate	2020
dc.date.accessioned.none.fl_str_mv	2021-02-05T14:58:39Z
dc.date.available.none.fl_str_mv	2021-02-05T14:58:39Z
dc.date.none.fl_str_mv	2020
dc.type.eng.fl_str_mv	Article
dc.type.coarversion.fl_str_mv	http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.coar.fl_str_mv	http://purl.org/coar/resource_type/c_6501 http://purl.org/coar/resource_type/c_2df8fbb1
dc.type.driver.none.fl_str_mv	info:eu-repo/semantics/article
dc.identifier.issn.none.fl_str_mv	22133437
dc.identifier.uri.none.fl_str_mv	http://hdl.handle.net/11407/6003
dc.identifier.doi.none.fl_str_mv	10.1016/j.jece.2020.103702
identifier_str_mv	22133437 10.1016/j.jece.2020.103702
url	http://hdl.handle.net/11407/6003
dc.language.iso.none.fl_str_mv	eng
language	eng
dc.relation.isversionof.none.fl_str_mv	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85079893939&doi=10.1016%2fj.jece.2020.103702&partnerID=40&md5=7cefb299e9fc676914e82d9ab836e1c3
dc.relation.citationvolume.none.fl_str_mv	8
dc.relation.citationissue.none.fl_str_mv	2
dc.relation.references.none.fl_str_mv	Mohan, D., Pittman, C.U., Activated carbons and low cost adsorbents for remediation of tri- And hexavalent chromium from water (2006) J. Hazard. Mater., 137, pp. 762-811 Barrera-Díaz, C.E., Lugo-Lugo, V., Bilyeu, B., A review of chemical, electrochemical and biological methods for aqueous Cr(VI) reduction (2012) J. Hazard. Mater., 223-224, pp. 1-12 (2007) Resolución 2115 de 2007, , http://www.minambiente.gov.co/images/GestionIntegraldelRecursoHidrico/pdf/Legislación_del_agua/Resolución_2115.pdf, Ministerio de la Protección Social, and Ministerio de Ambiente Vivienda y Desarrollo Territorial Ministerio De Ambiente, Y., Sostenible, D., (2015) Resolución 631 de 2015, , https://docs.supersalud.gov.co/PortalWeb/Juridica/OtraNormativa/R_MADS_0631_2015.pdf Chen, S.-S., Cheng, C.-Y., Li, C.-W., Chai, P.-H., Chang, Y.-M., Reduction of chromate from electroplating wastewater from pH 1 to 2 using fluidized zero valent iron process (2007) J. Hazard. Mater., 142, pp. 362-367 Gheju, M., Iovi, A., Balcu, I., Hexavalent chromium reduction with scrap iron in continuous-flow system: Part 1: Effect of feed solution pH (2008) J. Hazard. Mater., 153, pp. 655-662 Chen, G., Electrochemical technologies in wastewater treatment (2004) Sep. Purif. Technol., 38, pp. 11-41 Golder, A.K., Chanda, A.K., Samanta, A.N., Ray, S., Removal of Cr (VI) from aqueous solution: Electrocoagulation vs chemical coagulation (2007) Sep. Sci. Technol., 42, pp. 2177-2193 Agrawal, S.G., Fimmen, R.L., Chin, Y.-P., Reduction of Cr (VI) to Cr (III) by Fe (II) in the presence of fulvic acids and in lacustrine pore water (2009) Chem. Geol., 262, pp. 328-335 Ku, Y., Huang, Y.-H., Chou, Y.-C., Preparation and characterization of ZnO/TiO2 for the photocatalytic reduction of Cr (VI) in aqueous solution (2011) J. Mol. Catal. A: Chem., 342, pp. 18-22 Singh, R., Kumar, A., Kirrolia, A., Kumar, R., Yadav, N., Bishnoi, N.R., Lohchab, R.K., Removal of sulphate, COD and Cr (VI) in simulated and real wastewater by sulphate reducing bacteria enrichment in small bioreactor and FTIR study (2011) Bioresour. Technol., 102, pp. 677-682 Sharma, S., Adholeya, A., Detoxification and accumulation of chromium from tannery effluent and spent chrome effluent by Paecilomyces lilacinus fungi (2011) Int. Biodeterior. Biodegradation, 65, pp. 309-317 Enniya, I., Rghioui, L., Jourani, A., Adsorption of hexavalent chromium in aqueous solution on activated carbon prepared from apple peels (2018) Sustain. Chem. Pharm., 7, pp. 9-16 Yang, J., Yu, M., Chen, W., Adsorption of hexavalent chromium from aqueous solution by activated carbon prepared from longan seed: Kinetics, equilibrium and thermodynamics (2015) J. Ind. Eng. Chem., 21, pp. 414-422 Zhang, X., Fu, W., Yin, Y., Chen, Z., Qiu, R., Simonnot, M.-O., Wang, X., Adsorption-reduction removal of Cr(VI) by tobacco petiole pyrolytic biochar: Batch experiment, kinetic and mechanism studies (2018) Bioresour. Technol., 268, pp. 149-157 Valentín-Reyes, J., García-Reyes, R., García-González, A., Soto-Regalado, E., Cerino-Córdova, F., Adsorption mechanisms of hexavalent chromium from aqueous solutions on modified activated carbons (2019) J. Environ. Manage., 236, pp. 815-822 Saleh, T.A., Gupta, V.K., Al-Saadi, A.A., Adsorption of lead ions from aqueous solution using porous carbon derived from rubber tires: Experimental and computational study (2013) J. Colloid Interface Sci., 396, pp. 264-269 Al-Saadi, A.A., Saleh, T.A., Gupta, V.K., Spectroscopic and computational evaluation of cadmium adsorption using activated carbon produced from rubber tires (2013) J. Mol. Liq., 188, pp. 136-142 Huang, Y., Hu, H., The interaction of perrhenate and acidic/basic oxygen-containing groups on biochar surface: A DFT study (2020) Chem. Eng. J., 381 (1990) The Potential Use of Wood Residues for Energy Generation, , Rome Ramirez, A.P., Giraldo, S., Ulloa, M., Flórez, E., Acelas, N.Y., Production and characterization of activated carbon from wood wastes (2017) J. Phys. Conf. Ser., 935 Nguyen, T.A.H., Ngo, H.H., Guo, W.S., Pham, T.Q., Li, F.M., Nguyen, T.V., Bui, X.T., Adsorption of phosphate from aqueous solutions and sewage using zirconium loaded okara (ZLO): Fixed-bed column study (2015) Sci. Total Environ., 523, pp. 40-49 Banerjee, M., Basu, R.K., Das, S.K., Cr(VI) adsorption by a green adsorbent walnut shell: Adsorption studies, regeneration studies, scale-up design and economic feasibility (2018) Process Saf. Environ. Prot., 116, pp. 693-702 Goertzen, S.L., Thériault, K.D., Oickle, A.M., Tarasuk, A.C., Andreas, H.A., Standardization of the Boehm titration. Part I. CO2 expulsion and endpoint determination (2010) Carbon, 48, pp. 1252-1261 (1992) METHOD 7196A - Chromium, Hexavalent (Colorimetric), pp. 1-6 Lagergren, S., Zur theorie der sogenannten adsorption geloster stoffe, K. Sven (1898) Vetenskapsakademiens Handl., 24, pp. 1-39 Blanchard, G., Maunaye, M., Martin, G., Removal of heavy metals from waters by means of natural zeolites (1984) Water Res., 18, pp. 1501-1507 Zakaria, Z.A., Suratman, M., Mohammed, N., Ahmad, W.A., Chromium (VI) removal from aqueous solution by untreated rubber wood sawdust (2009) Desalination, 244, pp. 109-121 Karthikeyan, T., Rajgopal, S., Miranda, L.R., Chromium (VI) adsorption from aqueous solution by Hevea Brasilinesis sawdust activated carbon (2005) J. Hazard. Mater., 124 B, pp. 192-199 Kumar, A., Jena, H.M., Adsorption of Cr (VI) from aqueous phase by high surface area activated carbon prepared by chemical activation with ZnCl2 (2017) Process Saf. Environ. Prot., 109, pp. 63-71 Frisch, M.J., (2016) Gaussian 09. Revision A.02, , Wallingford CT Keith, T.A., Frisch, M.J., Inclusion of explicit solvent molecules in a self-consistent-reaction field model of solvation (1994) Model. Hydrog. Bond, pp. 22-35. , ACS Publications Washington, DC Acelas, N.Y., Hadad, C., Restrepo, A., Ibarguen, C., Flórez, E., Adsorption of nitrate and bicarbonate on Fe-(hydr) oxide (2017) Inorg. Chem., 56, pp. 5455-5464 Reed, A.E., Weinstock, R.B., Weinhold, F., Natural population analysis (1985) J. Chem. Phys., 83, pp. 735-746 Liu, J., Cheney, M.A., Wu, F., Li, M., Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces (2011) J. Hazard. Mater., 186, pp. 108-113 Mor, S., Adsorption of chromium from aqueous solution by activated alumina and activated charcoal (2007) Bioresour. Technol., 98, pp. 954-957 Chwastowski, J., Staroń, P., Kołoczek, H., Banach, M., Adsorption of hexavalent chromium from aqueous solutions using Canadian peat and coconut fiber (2017) J. Mol. Liq., 248, pp. 981-989 Anandkumar, J., Mandal, B., Removal of Cr (VI) from aqueous solution using Bael fruit (Aegle marmelos correa) shell as an adsorbent (2009) J. Hazard. Mater., 168, pp. 633-640 He, Z., Qu, L., Wang, Z., Qian, J., Yi, S., Effects of zinc chloride - Silicone oil treatment on wood dimensional stability, chemical components, thermal decomposition and its mechanism (2019) Sci. Rep., 9, pp. 1-7 Zhang, X., Lv, L., Qin, Y., Xu, M., Jia, X., Chen, Z., Removal of aqueous Cr (VI) by a magnetic biochar derived from Melia azedarach wood (2018) Bioresour. Technol., 256, pp. 1-10 Zhou, L., Liu, Y., Liu, S., Yin, Y., Zeng, G., Tan, X., Hu, X., Huang, X., Investigation of the adsorption-reduction mechanisms of hexavalent chromium by ramie biochars of different pyrolytic temperatures (2016) Bioresour. Technol., 218, pp. 351-359 (1996) Determination of Cr (VI) in Water, Waste Water, and Solid Waste Extracts, pp. 1-6. , http://www.dionex-france.com/library/literature/technical_notes/TN26_LPN034398-02.pdf, Tech. Note 26 LPN 034398-02 1M 1/98 Furusawa, T., Smith, J.M., Fluid-particle and lntraparticle mass transport rates in slurries (1973) Ind. Eng. Chem. Fundam., 12, pp. 197-203 Bautista-Toledo, M.I., Rivera-Utrilla, J., Ocampo-Pérez, R., Carrasco-Marín, F., Sánchez-Polo, M., Cooperative adsorption of bisphenol-A and chromium (III) ions from water on activated carbons prepared from olive-mill waste (2014) Carbon, 73, pp. 338-350 Ocampo-Pérez, R., Aguilar-Madera, C.G., Díaz-Blancas, V., 3D modeling of overall adsorption rate of acetaminophen on activated carbon pellets (2017) Chem. Eng. J., 321, pp. 510-520 Langmuir, I., The adsorption of gases on plane surfaces of glass, mica and platinum (1918) J. Am. Chem. Soc., 40, pp. 1361-1403 Freundlich, H., Über die adsorption in lösungen (1907) Z. Phys. Chem., 57, pp. 385-470 Temkin, M.J., Pyzhev, V., Recent modifications to Langmuir isotherms (1940) Acta Physicochim. USSR, 12, pp. 217-222 Nguyen, H., You, S., Hosseini-Bandegharaei, A., Mistakes and inconsistencies regarding adsorption of contaminants from aqueous solutions: A critical review (2017) Water Res., 120, pp. 88-116 Hall, K., Eagleton, L., Acrivos, A., Vermeulen, T., Pore- And solid-diffusion kinetics in fixed-bed adsorption under constant-pattern conditions (1966) Ind. Eng. Chem. Fundam., 5, pp. 212-223 Cherdchoo, W., Nithettham, S., Charoenpanich, J., Removal of Cr (VI) from synthetic wastewater by adsorption onto coffee ground and mixed waste tea (2019) Chemosphere, 221, pp. 758-767 Choudhary, B., Paul, D., Isotherms, kinetics and thermodynamics of hexavalent chromium removal using biochar (2018) J. Environ. Chem. Eng., 6, pp. 2335-2343 Rangabhashiyam, S., Selvaraju, N., Adsorptive remediation of hexavalent chromium from synthetic wastewater by a natural and ZnCl2 activated Sterculia guttata shell (2015) J. Mol. Liq., 207, pp. 39-49 Zhao, N., Zhao, C., Lv, Y., Zhang, W., Du, Y., Hao, Z., Zhang, J., Adsorption and coadsorption mechanisms of Cr (VI) and organic contaminants on H3PO4 treated biochar (2017) Chemosphere, 186, pp. 422-429 Acelas, N.Y., Flórez, E., Chloride adsorption on Fe-and Al-(hydr) oxide: Estimation of Gibbs free energies (2018) Adsorption, 24, pp. 243-248 Florez, E., Tiznado, W., Mondragón, F., Fuentealba, P., Theoretical study of the interaction of molecular oxygen with copper clusters (2005) J. Phys. Chem. A, 109, pp. 7815-7821 Khaloo, S.S., Matin, A.H., Sharifi, S., Fadaeinia, M., Kazempour, N., Mirzadeh, S., Equilibrium, kinetic and thermodynamic studies of mercury adsorption on almond shell (2012) Water Sci. Technol., 65, pp. 1341-1349 Li, H., Dong, X., Da Silva, E.B., De Oliveira, L.M., Chen, Y., Ma, L.Q., Mechanisms of metal sorption by biochars: Biochar characteristics and modifications (2017) Chemosphere, 178, pp. 466-478 Scott, A.P., Radom, L., Harmonic vibrational frequencies: An evaluation of Hartree- Fock, Møller- Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors (1996) J. Phys. Chem., 100, pp. 16502-16513
dc.rights.coar.fl_str_mv	http://purl.org/coar/access_right/c_16ec
rights_invalid_str_mv	http://purl.org/coar/access_right/c_16ec
dc.publisher.none.fl_str_mv	Elsevier Ltd
dc.publisher.faculty.spa.fl_str_mv	Facultad de Ciencias Básicas
publisher.none.fl_str_mv	Elsevier Ltd
dc.source.none.fl_str_mv	Journal of Environmental Chemical Engineering
institution	Universidad de Medellín
repository.name.fl_str_mv	Repositorio Institucional Universidad de Medellin
repository.mail.fl_str_mv	repositorio@udem.edu.co
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spelling	20202021-02-05T14:58:39Z2021-02-05T14:58:39Z22133437http://hdl.handle.net/11407/600310.1016/j.jece.2020.103702Because of its acute toxicity and high mobility, the hexavalent chromium [Cr (VI)] found in wastewater is a risk to the environment. In this study, activated carbon was produced from teakwood sawdust, which was chemically modified using ZnCl2 (AT) as an efficient adsorbent for Cr (VI) removal from aqueous systems. Batch experiments were conducted to identify kinetic, diffusional, and equilibrium parameters. In addition, to better understand the adsorption process, computer calculations were conducted based on the density functional theory (DFT). A maximum adsorption capacity of 72.46 mg g-1 was achieved by adapting experimental data to the Langmuir isotherm model. Intraparticle diffusion was further identified through a three-dimensional diffusion model, which revealed that it was ruled by intraparticular diffusion based on surface diffusion, with surface diffusion coefficient (Ds) values ranging from 1.29 × 10-10 to 0.78 × 10-10 cm2 s-1. Finally, computational chemistry calculations and an FTIR analysis determined that oxygenated functional groups, lactone, semiquinone, phenols, and carboxylic acids were involved in the process of Cr (VI) adsorption on AT. Moreover, the main adsorption mechanisms were found to be complexation, electrostatic interaction, and reduction of Cr (VI) to Cr (III). © 2020 Elsevier Ltd.engElsevier LtdFacultad de Ciencias Básicashttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85079893939&doi=10.1016%2fj.jece.2020.103702&partnerID=40&md5=7cefb299e9fc676914e82d9ab836e1c382Mohan, D., Pittman, C.U., Activated carbons and low cost adsorbents for remediation of tri- And hexavalent chromium from water (2006) J. Hazard. Mater., 137, pp. 762-811Barrera-Díaz, C.E., Lugo-Lugo, V., Bilyeu, B., A review of chemical, electrochemical and biological methods for aqueous Cr(VI) reduction (2012) J. Hazard. Mater., 223-224, pp. 1-12(2007) Resolución 2115 de 2007, , http://www.minambiente.gov.co/images/GestionIntegraldelRecursoHidrico/pdf/Legislación_del_agua/Resolución_2115.pdf, Ministerio de la Protección Social, and Ministerio de Ambiente Vivienda y Desarrollo TerritorialMinisterio De Ambiente, Y., Sostenible, D., (2015) Resolución 631 de 2015, , https://docs.supersalud.gov.co/PortalWeb/Juridica/OtraNormativa/R_MADS_0631_2015.pdfChen, S.-S., Cheng, C.-Y., Li, C.-W., Chai, P.-H., Chang, Y.-M., Reduction of chromate from electroplating wastewater from pH 1 to 2 using fluidized zero valent iron process (2007) J. Hazard. Mater., 142, pp. 362-367Gheju, M., Iovi, A., Balcu, I., Hexavalent chromium reduction with scrap iron in continuous-flow system: Part 1: Effect of feed solution pH (2008) J. Hazard. Mater., 153, pp. 655-662Chen, G., Electrochemical technologies in wastewater treatment (2004) Sep. Purif. Technol., 38, pp. 11-41Golder, A.K., Chanda, A.K., Samanta, A.N., Ray, S., Removal of Cr (VI) from aqueous solution: Electrocoagulation vs chemical coagulation (2007) Sep. Sci. Technol., 42, pp. 2177-2193Agrawal, S.G., Fimmen, R.L., Chin, Y.-P., Reduction of Cr (VI) to Cr (III) by Fe (II) in the presence of fulvic acids and in lacustrine pore water (2009) Chem. Geol., 262, pp. 328-335Ku, Y., Huang, Y.-H., Chou, Y.-C., Preparation and characterization of ZnO/TiO2 for the photocatalytic reduction of Cr (VI) in aqueous solution (2011) J. Mol. Catal. A: Chem., 342, pp. 18-22Singh, R., Kumar, A., Kirrolia, A., Kumar, R., Yadav, N., Bishnoi, N.R., Lohchab, R.K., Removal of sulphate, COD and Cr (VI) in simulated and real wastewater by sulphate reducing bacteria enrichment in small bioreactor and FTIR study (2011) Bioresour. Technol., 102, pp. 677-682Sharma, S., Adholeya, A., Detoxification and accumulation of chromium from tannery effluent and spent chrome effluent by Paecilomyces lilacinus fungi (2011) Int. Biodeterior. Biodegradation, 65, pp. 309-317Enniya, I., Rghioui, L., Jourani, A., Adsorption of hexavalent chromium in aqueous solution on activated carbon prepared from apple peels (2018) Sustain. Chem. Pharm., 7, pp. 9-16Yang, J., Yu, M., Chen, W., Adsorption of hexavalent chromium from aqueous solution by activated carbon prepared from longan seed: Kinetics, equilibrium and thermodynamics (2015) J. Ind. Eng. Chem., 21, pp. 414-422Zhang, X., Fu, W., Yin, Y., Chen, Z., Qiu, R., Simonnot, M.-O., Wang, X., Adsorption-reduction removal of Cr(VI) by tobacco petiole pyrolytic biochar: Batch experiment, kinetic and mechanism studies (2018) Bioresour. Technol., 268, pp. 149-157Valentín-Reyes, J., García-Reyes, R., García-González, A., Soto-Regalado, E., Cerino-Córdova, F., Adsorption mechanisms of hexavalent chromium from aqueous solutions on modified activated carbons (2019) J. Environ. Manage., 236, pp. 815-822Saleh, T.A., Gupta, V.K., Al-Saadi, A.A., Adsorption of lead ions from aqueous solution using porous carbon derived from rubber tires: Experimental and computational study (2013) J. Colloid Interface Sci., 396, pp. 264-269Al-Saadi, A.A., Saleh, T.A., Gupta, V.K., Spectroscopic and computational evaluation of cadmium adsorption using activated carbon produced from rubber tires (2013) J. Mol. Liq., 188, pp. 136-142Huang, Y., Hu, H., The interaction of perrhenate and acidic/basic oxygen-containing groups on biochar surface: A DFT study (2020) Chem. Eng. J., 381(1990) The Potential Use of Wood Residues for Energy Generation, , RomeRamirez, A.P., Giraldo, S., Ulloa, M., Flórez, E., Acelas, N.Y., Production and characterization of activated carbon from wood wastes (2017) J. Phys. Conf. Ser., 935Nguyen, T.A.H., Ngo, H.H., Guo, W.S., Pham, T.Q., Li, F.M., Nguyen, T.V., Bui, X.T., Adsorption of phosphate from aqueous solutions and sewage using zirconium loaded okara (ZLO): Fixed-bed column study (2015) Sci. Total Environ., 523, pp. 40-49Banerjee, M., Basu, R.K., Das, S.K., Cr(VI) adsorption by a green adsorbent walnut shell: Adsorption studies, regeneration studies, scale-up design and economic feasibility (2018) Process Saf. Environ. Prot., 116, pp. 693-702Goertzen, S.L., Thériault, K.D., Oickle, A.M., Tarasuk, A.C., Andreas, H.A., Standardization of the Boehm titration. Part I. CO2 expulsion and endpoint determination (2010) Carbon, 48, pp. 1252-1261(1992) METHOD 7196A - Chromium, Hexavalent (Colorimetric), pp. 1-6Lagergren, S., Zur theorie der sogenannten adsorption geloster stoffe, K. Sven (1898) Vetenskapsakademiens Handl., 24, pp. 1-39Blanchard, G., Maunaye, M., Martin, G., Removal of heavy metals from waters by means of natural zeolites (1984) Water Res., 18, pp. 1501-1507Zakaria, Z.A., Suratman, M., Mohammed, N., Ahmad, W.A., Chromium (VI) removal from aqueous solution by untreated rubber wood sawdust (2009) Desalination, 244, pp. 109-121Karthikeyan, T., Rajgopal, S., Miranda, L.R., Chromium (VI) adsorption from aqueous solution by Hevea Brasilinesis sawdust activated carbon (2005) J. Hazard. Mater., 124 B, pp. 192-199Kumar, A., Jena, H.M., Adsorption of Cr (VI) from aqueous phase by high surface area activated carbon prepared by chemical activation with ZnCl2 (2017) Process Saf. Environ. Prot., 109, pp. 63-71Frisch, M.J., (2016) Gaussian 09. Revision A.02, , Wallingford CTKeith, T.A., Frisch, M.J., Inclusion of explicit solvent molecules in a self-consistent-reaction field model of solvation (1994) Model. Hydrog. Bond, pp. 22-35. , ACS Publications Washington, DCAcelas, N.Y., Hadad, C., Restrepo, A., Ibarguen, C., Flórez, E., Adsorption of nitrate and bicarbonate on Fe-(hydr) oxide (2017) Inorg. Chem., 56, pp. 5455-5464Reed, A.E., Weinstock, R.B., Weinhold, F., Natural population analysis (1985) J. Chem. Phys., 83, pp. 735-746Liu, J., Cheney, M.A., Wu, F., Li, M., Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces (2011) J. Hazard. Mater., 186, pp. 108-113Mor, S., Adsorption of chromium from aqueous solution by activated alumina and activated charcoal (2007) Bioresour. Technol., 98, pp. 954-957Chwastowski, J., Staroń, P., Kołoczek, H., Banach, M., Adsorption of hexavalent chromium from aqueous solutions using Canadian peat and coconut fiber (2017) J. Mol. Liq., 248, pp. 981-989Anandkumar, J., Mandal, B., Removal of Cr (VI) from aqueous solution using Bael fruit (Aegle marmelos correa) shell as an adsorbent (2009) J. Hazard. Mater., 168, pp. 633-640He, Z., Qu, L., Wang, Z., Qian, J., Yi, S., Effects of zinc chloride - Silicone oil treatment on wood dimensional stability, chemical components, thermal decomposition and its mechanism (2019) Sci. Rep., 9, pp. 1-7Zhang, X., Lv, L., Qin, Y., Xu, M., Jia, X., Chen, Z., Removal of aqueous Cr (VI) by a magnetic biochar derived from Melia azedarach wood (2018) Bioresour. Technol., 256, pp. 1-10Zhou, L., Liu, Y., Liu, S., Yin, Y., Zeng, G., Tan, X., Hu, X., Huang, X., Investigation of the adsorption-reduction mechanisms of hexavalent chromium by ramie biochars of different pyrolytic temperatures (2016) Bioresour. 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Chem., 100, pp. 16502-16513Journal of Environmental Chemical EngineeringAdsorptionBiomassComputational simulationHexavalent chromiumKineticsActivated carbonAdsorptionChemical analysisChlorine compoundsComputation theoryComputational chemistryDensity functional theoryFunctional groupsIsothermsSurface diffusionZinc chlorideAdsorption capacitiesAdsorption mechanismChemically modifiedComputer calculationEquilibrium parametersHexavalent chromiumIntra-particle diffusionLangmuir isotherm modelsChromium compoundsRemoval of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculationsArticleinfo:eu-repo/semantics/articlehttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1Ramirez, A., Group of Materials with Impact (Matandmpac), Department of Basic Sciences, University of Medellín, Medellín, ColombiaOcampo, R., Department of Chemical Sciences, Autonomous University San Luis Potosí (UASLP), San Luis Potosí, MexicoGiraldo, S., Group of Materials with Impact (Matandmpac), Department of Basic Sciences, University of Medellín, Medellín, ColombiaPadilla, E., Department of Chemical Sciences, Autonomous University San Luis Potosí (UASLP), San Luis Potosí, MexicoFlórez, E., Group of Materials with Impact (Matandmpac), Department of Basic Sciences, University of Medellín, Medellín, ColombiaAcelas, N., Group of Materials with Impact (Matandmpac), Department of Basic Sciences, University of Medellín, Medellín, Colombiahttp://purl.org/coar/access_right/c_16ecRamirez A.Ocampo R.Giraldo S.Padilla E.Flórez E.Acelas N.11407/6003oai:repository.udem.edu.co:11407/60032021-02-05 09:58:39.232Repositorio Institucional Universidad de Medellinrepositorio@udem.edu.co

Removal of Cr (VI) from an aqueous solution using an activated carbon obtained from teakwood sawdust: Kinetics, equilibrium, and density functional theory calculations

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