Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis
The textile industry’s waste often contains excessive amounts of crystal violet (CV), leading to environmental concerns. Graphene oxide has been studied as a promising adsorbent for removing crystal violet, a cationic dye, from aqueous solutions. The study involved a comprehensive analysis of variou...
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| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2024-01-01
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| Series: | International Journal of Chemical Engineering |
| Online Access: | http://dx.doi.org/10.1155/2024/8222314 |
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| author | Soukaina El Bourachdi Faiçal El Ouadrhiri Fatima Moussaoui Ebraheem Abdu Musad Saleh Abdelhay El Amri Raed H. Althomali Asmaa F. Kassem Marwa Mostafa Moharam Ali raza Ayub Kakul Husain Ismail Hassan Amal Lahkimi |
| author_facet | Soukaina El Bourachdi Faiçal El Ouadrhiri Fatima Moussaoui Ebraheem Abdu Musad Saleh Abdelhay El Amri Raed H. Althomali Asmaa F. Kassem Marwa Mostafa Moharam Ali raza Ayub Kakul Husain Ismail Hassan Amal Lahkimi |
| author_sort | Soukaina El Bourachdi |
| collection | DOAJ |
| description | The textile industry’s waste often contains excessive amounts of crystal violet (CV), leading to environmental concerns. Graphene oxide has been studied as a promising adsorbent for removing crystal violet, a cationic dye, from aqueous solutions. The study involved a comprehensive analysis of various experimental parameters, including initial concentration, pH, adsorbent mass, contact time, and temperature. Graphene oxide underwent thorough analysis using Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and specific surface area determination via the Brunauer–Emmett–Teller (BET) method. Energy-dispersive X-ray spectroscopy (EDS) was also employed. This study aimed to optimize the synthesis yield of graphene oxide from graphite using the Hummers method and response surface methodology (RSM), achieving a yield of 106.14% with 5 g of KMnO4 and 1 g of NaNO3 for 8 hours. The graphene oxide was analyzed via FTIR, XRD, SEM, BET, pHpzc, and EDS. Optimal conditions for maximal adsorption included 0.016 g of graphene oxide, 18 minutes of contact time, pH 10, and a temperature of 25°C, resulting in a 97.38% reduction in crystal violet with a monolayer adsorption capacity of 470.78 mg/g. Kinetic data were best fitted by the pseudosecond-order model, and the Langmuir isotherm accurately depicted adsorption. Thermodynamic analysis indicated spontaneous (ΔG° < 0) and exothermic (ΔH° < 0) crystal violet adsorption. Density functional theory (DFT) explored interactions between graphene oxide and crystal violet, supporting experimental findings and confirming graphene oxide’s efficacy as an adsorbent for crystal violet removal from aqueous solutions. |
| format | Article |
| id | doaj-art-efb9282046734c61bada42d709aafbd8 |
| institution | Kabale University |
| issn | 1687-8078 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Chemical Engineering |
| spelling | doaj-art-efb9282046734c61bada42d709aafbd82025-02-02T23:08:54ZengWileyInternational Journal of Chemical Engineering1687-80782024-01-01202410.1155/2024/8222314Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT AnalysisSoukaina El Bourachdi0Faiçal El Ouadrhiri1Fatima Moussaoui2Ebraheem Abdu Musad Saleh3Abdelhay El Amri4Raed H. Althomali5Asmaa F. Kassem6Marwa Mostafa Moharam7Ali raza Ayub8Kakul Husain9Ismail Hassan10Amal Lahkimi11Laboratory of Engineering, Electrochemistry, Modelling and EnvironmentLaboratory of Engineering, Electrochemistry, Modelling and EnvironmentLaboratory of Engineering, Electrochemistry, Modelling and EnvironmentChemistry DepartmentLaboratory of Advanced Materials and Process Engineering (LAMPE)Chemistry DepartmentChemistry DepartmentChemistry DepartmentKey Laboratory of Clusters Science of Ministry of EducationChemistry DepartmentChemistry DepartmentLaboratory of Engineering, Electrochemistry, Modelling and EnvironmentThe textile industry’s waste often contains excessive amounts of crystal violet (CV), leading to environmental concerns. Graphene oxide has been studied as a promising adsorbent for removing crystal violet, a cationic dye, from aqueous solutions. The study involved a comprehensive analysis of various experimental parameters, including initial concentration, pH, adsorbent mass, contact time, and temperature. Graphene oxide underwent thorough analysis using Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and specific surface area determination via the Brunauer–Emmett–Teller (BET) method. Energy-dispersive X-ray spectroscopy (EDS) was also employed. This study aimed to optimize the synthesis yield of graphene oxide from graphite using the Hummers method and response surface methodology (RSM), achieving a yield of 106.14% with 5 g of KMnO4 and 1 g of NaNO3 for 8 hours. The graphene oxide was analyzed via FTIR, XRD, SEM, BET, pHpzc, and EDS. Optimal conditions for maximal adsorption included 0.016 g of graphene oxide, 18 minutes of contact time, pH 10, and a temperature of 25°C, resulting in a 97.38% reduction in crystal violet with a monolayer adsorption capacity of 470.78 mg/g. Kinetic data were best fitted by the pseudosecond-order model, and the Langmuir isotherm accurately depicted adsorption. Thermodynamic analysis indicated spontaneous (ΔG° < 0) and exothermic (ΔH° < 0) crystal violet adsorption. Density functional theory (DFT) explored interactions between graphene oxide and crystal violet, supporting experimental findings and confirming graphene oxide’s efficacy as an adsorbent for crystal violet removal from aqueous solutions.http://dx.doi.org/10.1155/2024/8222314 |
| spellingShingle | Soukaina El Bourachdi Faiçal El Ouadrhiri Fatima Moussaoui Ebraheem Abdu Musad Saleh Abdelhay El Amri Raed H. Althomali Asmaa F. Kassem Marwa Mostafa Moharam Ali raza Ayub Kakul Husain Ismail Hassan Amal Lahkimi Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis International Journal of Chemical Engineering |
| title | Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis |
| title_full | Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis |
| title_fullStr | Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis |
| title_full_unstemmed | Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis |
| title_short | Enhancing Graphene Oxide Production and Its Efficacy in Adsorbing Crystal Violet: An In-Depth Study of Thermodynamics, Kinetics, and DFT Analysis |
| title_sort | enhancing graphene oxide production and its efficacy in adsorbing crystal violet an in depth study of thermodynamics kinetics and dft analysis |
| url | http://dx.doi.org/10.1155/2024/8222314 |
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