Abdellah-Anouar El Foulani, Sanae Tarhouchi, Mohammed Chafi, Rafik Saddik, Abdullah Yahya Abdullah Alzahrani, Hassane Lgaz, Said Tighadouini
{"title":"吡唑酰胺功能化二氧化硅高效吸附甲基橙的实验与理论结合研究","authors":"Abdellah-Anouar El Foulani, Sanae Tarhouchi, Mohammed Chafi, Rafik Saddik, Abdullah Yahya Abdullah Alzahrani, Hassane Lgaz, Said Tighadouini","doi":"10.1002/aoc.70254","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>A pyrazole amide grafted onto a silica surface was synthesized to form a new hybrid adsorbent for methyl orange (MO) removal. The synthesized hybrid adsorbent SiNL was characterized by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET), confirming successful functionalization of the silica surface. Adsorption performance was studied using a batch method, evaluating parameters such as pH, time, initial concentration, and temperature. The MO adsorption process was best described by the pseudo-first-order kinetic model and the Redlich–Peterson isotherm model, with a maximum adsorption capacity of 133.12 mg/g achieved in 40 min at 25°C and pH 3. Thermodynamic studies revealed that the adsorption of MO is a spontaneous and exothermic process. The adsorption efficiency of SiNL remained consistently above 95% even after five adsorption–desorption cycles. Molecular dynamics simulations demonstrated the most favorable adsorption configuration of the SiNL substrate in an acidic medium for MO removal and explored the mechanisms underlying their interaction. These results confirm the suitability of SiNL for practical applications.</p>\n </div>","PeriodicalId":8344,"journal":{"name":"Applied Organometallic Chemistry","volume":"39 7","pages":""},"PeriodicalIF":3.7000,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Synthesis of Pyrazole Amide-Functionalized Silica for Efficient Methyl Orange Adsorption: A Combined Experimental and Theoretical Study\",\"authors\":\"Abdellah-Anouar El Foulani, Sanae Tarhouchi, Mohammed Chafi, Rafik Saddik, Abdullah Yahya Abdullah Alzahrani, Hassane Lgaz, Said Tighadouini\",\"doi\":\"10.1002/aoc.70254\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>A pyrazole amide grafted onto a silica surface was synthesized to form a new hybrid adsorbent for methyl orange (MO) removal. The synthesized hybrid adsorbent SiNL was characterized by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET), confirming successful functionalization of the silica surface. Adsorption performance was studied using a batch method, evaluating parameters such as pH, time, initial concentration, and temperature. The MO adsorption process was best described by the pseudo-first-order kinetic model and the Redlich–Peterson isotherm model, with a maximum adsorption capacity of 133.12 mg/g achieved in 40 min at 25°C and pH 3. Thermodynamic studies revealed that the adsorption of MO is a spontaneous and exothermic process. The adsorption efficiency of SiNL remained consistently above 95% even after five adsorption–desorption cycles. Molecular dynamics simulations demonstrated the most favorable adsorption configuration of the SiNL substrate in an acidic medium for MO removal and explored the mechanisms underlying their interaction. These results confirm the suitability of SiNL for practical applications.</p>\\n </div>\",\"PeriodicalId\":8344,\"journal\":{\"name\":\"Applied Organometallic Chemistry\",\"volume\":\"39 7\",\"pages\":\"\"},\"PeriodicalIF\":3.7000,\"publicationDate\":\"2025-06-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Applied Organometallic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/aoc.70254\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Organometallic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/aoc.70254","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
Synthesis of Pyrazole Amide-Functionalized Silica for Efficient Methyl Orange Adsorption: A Combined Experimental and Theoretical Study
A pyrazole amide grafted onto a silica surface was synthesized to form a new hybrid adsorbent for methyl orange (MO) removal. The synthesized hybrid adsorbent SiNL was characterized by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET), confirming successful functionalization of the silica surface. Adsorption performance was studied using a batch method, evaluating parameters such as pH, time, initial concentration, and temperature. The MO adsorption process was best described by the pseudo-first-order kinetic model and the Redlich–Peterson isotherm model, with a maximum adsorption capacity of 133.12 mg/g achieved in 40 min at 25°C and pH 3. Thermodynamic studies revealed that the adsorption of MO is a spontaneous and exothermic process. The adsorption efficiency of SiNL remained consistently above 95% even after five adsorption–desorption cycles. Molecular dynamics simulations demonstrated the most favorable adsorption configuration of the SiNL substrate in an acidic medium for MO removal and explored the mechanisms underlying their interaction. These results confirm the suitability of SiNL for practical applications.
期刊介绍：
All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.
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