Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment
At present, chemical Si/Al sources are mainly used as precursor materials for the manufacturing of zeolites. Such precursor materials are quite expensive for commercial synthesis. Here, we have reported the synthesis of Ca-based zeolite from incense stick ash waste by the alkali-treatment method for...
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| Format: | Article |
| Language: | English |
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SAGE Publications
2021-01-01
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| Series: | Adsorption Science & Technology |
| Online Access: | http://dx.doi.org/10.1155/2021/6066906 |
| _version_ | 1797285683358859264 |
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| author | Virendra Kumar Yadav Nisha Choudhary Daoud Ali G. Gnanamoorthy Gajendra Kumar Inwati Mohammed HA. Almarzoug Gokhlesh Kumar Samreen Heena Khan Mitesh B. Solanki |
| author_facet | Virendra Kumar Yadav Nisha Choudhary Daoud Ali G. Gnanamoorthy Gajendra Kumar Inwati Mohammed HA. Almarzoug Gokhlesh Kumar Samreen Heena Khan Mitesh B. Solanki |
| author_sort | Virendra Kumar Yadav |
| collection | DOAJ |
| description | At present, chemical Si/Al sources are mainly used as precursor materials for the manufacturing of zeolites. Such precursor materials are quite expensive for commercial synthesis. Here, we have reported the synthesis of Ca-based zeolite from incense stick ash waste by the alkali-treatment method for the first time. Incense stick ash (ISA) was used as a precursor material for the synthesis of low Si zeolites by the alkali-treatment method. The as-synthesized zeolites were characterized by various instruments like particle size analyzer (PSA), Fourier transform infrared (FTIR), X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), electron diffraction spectroscopy (EDS), transmission electron microscopy (TEM), and X-ray fluorescence (XRF). FTIR and XRD helped in the identification of the microstructure and crystalline nature of the zeolites and also confirmed the synthesis of Ca-based zeolite with two thetas at 25.7°. The microscopic analysis by FESEM and TEM exhibited that the size of synthesized Ca-rich zeolites varies from 200 to 700 nm and they are aggregated and cuboidal in shape. Additionally, structural, electronic, and density of states’ characteristics of gismondine (Ca2Al4Si4O16·9H2O) structures were evaluated by computational simulations (first principle, density functional theorem). The structural optimization of structures was carried out in the first stage under the lowest condition of total energy and forces acting on atoms for the lattice constant, as well as the available experimental and theoretical findings. The present research approach predicted the transformation of ISA waste into a value-added mineral, i.e., zeolite, which was further used for the removal of both heavy metals and alkali metals from fly ash-based wastewater using inductively coupled plasma-optical emission spectroscopy (ICP-OES). |
| first_indexed | 2024-03-07T18:06:41Z |
| format | Article |
| id | doaj.art-a7cc9b4611af44eabdac3f1f9ade52b7 |
| institution | Directory Open Access Journal |
| issn | 2048-4038 |
| language | English |
| last_indexed | 2024-03-07T18:06:41Z |
| publishDate | 2021-01-01 |
| publisher | SAGE Publications |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj.art-a7cc9b4611af44eabdac3f1f9ade52b72024-03-02T08:55:17ZengSAGE PublicationsAdsorption Science & Technology2048-40382021-01-01202110.1155/2021/6066906Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater TreatmentVirendra Kumar Yadav0Nisha Choudhary1Daoud Ali2G. Gnanamoorthy3Gajendra Kumar Inwati4Mohammed HA. Almarzoug5Gokhlesh Kumar6Samreen Heena Khan7Mitesh B. Solanki8Department of MicrobiologyResearch and Development CentreDepartment of ZoologyDepartment of Inorganic ChemistryDepartment of ChemistryDepartment of ZoologyClinical Division of Fish MedicineResearch and Development CentreStep-Up Jewels PVT. LTD. Khatodara GateAt present, chemical Si/Al sources are mainly used as precursor materials for the manufacturing of zeolites. Such precursor materials are quite expensive for commercial synthesis. Here, we have reported the synthesis of Ca-based zeolite from incense stick ash waste by the alkali-treatment method for the first time. Incense stick ash (ISA) was used as a precursor material for the synthesis of low Si zeolites by the alkali-treatment method. The as-synthesized zeolites were characterized by various instruments like particle size analyzer (PSA), Fourier transform infrared (FTIR), X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), electron diffraction spectroscopy (EDS), transmission electron microscopy (TEM), and X-ray fluorescence (XRF). FTIR and XRD helped in the identification of the microstructure and crystalline nature of the zeolites and also confirmed the synthesis of Ca-based zeolite with two thetas at 25.7°. The microscopic analysis by FESEM and TEM exhibited that the size of synthesized Ca-rich zeolites varies from 200 to 700 nm and they are aggregated and cuboidal in shape. Additionally, structural, electronic, and density of states’ characteristics of gismondine (Ca2Al4Si4O16·9H2O) structures were evaluated by computational simulations (first principle, density functional theorem). The structural optimization of structures was carried out in the first stage under the lowest condition of total energy and forces acting on atoms for the lattice constant, as well as the available experimental and theoretical findings. The present research approach predicted the transformation of ISA waste into a value-added mineral, i.e., zeolite, which was further used for the removal of both heavy metals and alkali metals from fly ash-based wastewater using inductively coupled plasma-optical emission spectroscopy (ICP-OES).http://dx.doi.org/10.1155/2021/6066906 |
| spellingShingle | Virendra Kumar Yadav Nisha Choudhary Daoud Ali G. Gnanamoorthy Gajendra Kumar Inwati Mohammed HA. Almarzoug Gokhlesh Kumar Samreen Heena Khan Mitesh B. Solanki Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment Adsorption Science & Technology |
| title | Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment |
| title_full | Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment |
| title_fullStr | Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment |
| title_full_unstemmed | Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment |
| title_short | Experimental and Computational Approaches for the Structural Study of Novel Ca-Rich Zeolites from Incense Stick Ash and Their Application for Wastewater Treatment |
| title_sort | experimental and computational approaches for the structural study of novel ca rich zeolites from incense stick ash and their application for wastewater treatment |
| url | http://dx.doi.org/10.1155/2021/6066906 |
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