Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study
This study aimed to get an insight into the adsorption of three synthetic dyes onto chitin using experimental and computational approaches. The successful preparation of α-chitin was confirmed using the Fourier Transform Infrared (FTIR) and X-ray Diffraction (XRD). In addition, the presence of porou...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-11-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535222006098 |
| _version_ | 1798028940704481280 |
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| author | Kiki Adi Kurnia Ardiani Putri Rahayu Afifah Faradilla Islami Yuly Kusumawati I Gede Wenten Anisa Ur Rahmah Saepurahman Diana Vanda Wellia Asep Saefumillah |
| author_facet | Kiki Adi Kurnia Ardiani Putri Rahayu Afifah Faradilla Islami Yuly Kusumawati I Gede Wenten Anisa Ur Rahmah Saepurahman Diana Vanda Wellia Asep Saefumillah |
| author_sort | Kiki Adi Kurnia |
| collection | DOAJ |
| description | This study aimed to get an insight into the adsorption of three synthetic dyes onto chitin using experimental and computational approaches. The successful preparation of α-chitin was confirmed using the Fourier Transform Infrared (FTIR) and X-ray Diffraction (XRD). In addition, the presence of porous and fiber on the surface of the extracted chitin was revealed by the Scanning Electron Microscopy (SEM) analysis. The extracted α-chitin was then used as an adsorbent to remove synthetic dyes, namely Malachite green, Basic red 18, and Alizarin yellow R. The kinetic study showed that the adsorption of dyes was well-described using a pseudo-second-order model, whereas the isotherm adsorption obeyed the Freundlich model. The Frontier Molecular Orbital (FMO) revealed several locations of dyes and chitin molecules that are potentially active sites for adsorption. The adsorption trend could be related to the Highest Occupied Molecular Orbital (HOMO) – Lowest Unoccupied Molecular Orbital (LUMO) energy gap and electrophilicity index of the dyes. The Conductor-like Model for Real Solvent (COSMO-RS) model demonstrated, for the first time, that several interactions occurred during the adsorption of dyes onto α-chitin. For the Malachite green and Basic Red 18, the Van der Waals forces of the dyes controlled its adsorption behavior. In contrast, the hydrogen bonding interaction governed the adsorption behavior of Alizarin yellow R dye onto α-chitin. The gathered insight from this work might guide us better to understand the molecular level of dyes–chitin interactions and, ultimately, to design adsorbents to remove synthetic dyes from wastewater. |
| first_indexed | 2024-04-11T19:16:28Z |
| format | Article |
| id | doaj.art-2b0f6596f8c0406eacaa33eefc7d8f35 |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-04-11T19:16:28Z |
| publishDate | 2022-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-2b0f6596f8c0406eacaa33eefc7d8f352022-12-22T04:07:25ZengElsevierArabian Journal of Chemistry1878-53522022-11-011511104293Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational studyKiki Adi Kurnia0Ardiani Putri Rahayu1Afifah Faradilla Islami2Yuly Kusumawati3I Gede Wenten4Anisa Ur Rahmah5 Saepurahman6Diana Vanda Wellia7Asep Saefumillah8Department of Chemical Engineering, Faculty of Industrial Technology, Institut Teknologi Bandung, Jl. Ganesha No 10, Bandung 40132, Indonesia; Corresponding author.Faculty of Fisheries and Marine, Universitas Airlangga, Jalan Mulyorejo Kampus C, Surabaya 60115, IndonesiaFaculty of Fisheries and Marine, Universitas Airlangga, Jalan Mulyorejo Kampus C, Surabaya 60115, IndonesiaDepartment of Chemistry, Faculty of Science and Analytical Data, Institut Teknologi Sepuluh Nopember, Kampus ITS Sukolilo, Surabaya 60111, IndonesiaDepartment of Chemical Engineering, Faculty of Industrial Technology, Institut Teknologi Bandung, Jl. Ganesha No 10, Bandung 40132, IndonesiaDepartment of Chemical Engineering, Universitas Muhammadiyah Surakarta, Pabelan, Kartasura, Sukoharjo 57162, IndonesiaResearch Center for Chemistry, National Research and Innovation Agency (BRIN), Gd. 452 KST BJ Habibie Serpong, Tangerang Selatan, Banten 15314, IndonesiaDepartment of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Andalas, Kampus Unand Limau Manis, Padang 45163, IndonesiaDepartment of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Indonesia, Jl. Lingkar Kampus Raya, Depok 16424, IndonesiaThis study aimed to get an insight into the adsorption of three synthetic dyes onto chitin using experimental and computational approaches. The successful preparation of α-chitin was confirmed using the Fourier Transform Infrared (FTIR) and X-ray Diffraction (XRD). In addition, the presence of porous and fiber on the surface of the extracted chitin was revealed by the Scanning Electron Microscopy (SEM) analysis. The extracted α-chitin was then used as an adsorbent to remove synthetic dyes, namely Malachite green, Basic red 18, and Alizarin yellow R. The kinetic study showed that the adsorption of dyes was well-described using a pseudo-second-order model, whereas the isotherm adsorption obeyed the Freundlich model. The Frontier Molecular Orbital (FMO) revealed several locations of dyes and chitin molecules that are potentially active sites for adsorption. The adsorption trend could be related to the Highest Occupied Molecular Orbital (HOMO) – Lowest Unoccupied Molecular Orbital (LUMO) energy gap and electrophilicity index of the dyes. The Conductor-like Model for Real Solvent (COSMO-RS) model demonstrated, for the first time, that several interactions occurred during the adsorption of dyes onto α-chitin. For the Malachite green and Basic Red 18, the Van der Waals forces of the dyes controlled its adsorption behavior. In contrast, the hydrogen bonding interaction governed the adsorption behavior of Alizarin yellow R dye onto α-chitin. The gathered insight from this work might guide us better to understand the molecular level of dyes–chitin interactions and, ultimately, to design adsorbents to remove synthetic dyes from wastewater.http://www.sciencedirect.com/science/article/pii/S1878535222006098AdsorptionMalachite greenBasic red 18Alizarin yellow RChitinFMO |
| spellingShingle | Kiki Adi Kurnia Ardiani Putri Rahayu Afifah Faradilla Islami Yuly Kusumawati I Gede Wenten Anisa Ur Rahmah Saepurahman Diana Vanda Wellia Asep Saefumillah Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study Arabian Journal of Chemistry Adsorption Malachite green Basic red 18 Alizarin yellow R Chitin FMO |
| title | Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study |
| title_full | Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study |
| title_fullStr | Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study |
| title_full_unstemmed | Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study |
| title_short | Insight into the adsorption of dyes onto chitin in aqueous solution: An experimental and computational study |
| title_sort | insight into the adsorption of dyes onto chitin in aqueous solution an experimental and computational study |
| topic | Adsorption Malachite green Basic red 18 Alizarin yellow R Chitin FMO |
| url | http://www.sciencedirect.com/science/article/pii/S1878535222006098 |
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