Zhendong Li , Wei Ye , Huiting Li , Jianzhe Qiao , Yunyi Du , Zhujun Dong , Lichun Fu , Yuwei Pan
{"title":"Recent research on chemically modifying the surface of zero-valent iron: A mini review","authors":"Zhendong Li , Wei Ye , Huiting Li , Jianzhe Qiao , Yunyi Du , Zhujun Dong , Lichun Fu , Yuwei Pan","doi":"10.1016/j.ceja.2025.100709","DOIUrl":"10.1016/j.ceja.2025.100709","url":null,"abstract":"<div><div>Zero-valent iron (ZVI) is a widely employed material for environmental remediation due to its capability to effectively degrade or reduce various pollutants. The enhancement of its reactivity and applicability can be achieved through chemical surface modification. Chemical surface modification involves introducing specific chemical functional groups onto the surface of ZVI, altering its surface chemical properties and structural morphology. This article provides an overview of the advancements made in four commonly used chemical modifications of ZVI, namely ZVI sulfide, ZVI silicide, ZVI oxalate, and ZVI phosphate. The review examines the impacts of these four different modified compounds on the surface structure and reactivity of ZVI, as well as elucidates the mechanisms by which modified ZVI interacts with and removes pollutants. Furthermore, the article discusses the prospects and challenges associated with modified ZVI, offering valuable insights for future research and the application of environmental remediation technologies.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100709"},"PeriodicalIF":5.5,"publicationDate":"2025-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Exploring the charge storage ability of the spinel-type high entropy oxide (MnFeCoNiZn)3O4 nanoparticles for supercapacitor applications","authors":"Arun S R, George Jacob","doi":"10.1016/j.ceja.2025.100708","DOIUrl":"10.1016/j.ceja.2025.100708","url":null,"abstract":"<div><div>High entropy materials have grabbed more attention in recent years on account of their unique crystal structure, large compositional design space, and complex chemistry enabling the enormous and unexplored properties in the different fields. Among the entropy-stabilized materials, high entropy oxide nanoparticles (HEO NPs) have attracted the scientific community owing to their superior energy storage applications. This research anticipates an approach for unleashing the charge storage properties of HEO NPs for supercapacitor applications. The spinel-type (MnFeCoNiZn)<sub>3</sub>O<sub>4</sub> HEO NPs were prepared by the solution combustion method. This (MnFeCoNiZn)<sub>3</sub>O<sub>4</sub> HEO NPs electrode exhibited 288.7 Fg<sup>-1</sup> (3 Ag<sup>-1</sup>) of specific capacitance (<em>C<sub>sp</sub></em>). It maintained a 52% rate capability from 3 to 30 Ag<sup>-1</sup>. Furthermore, after a cyclic stability test for 5000 cycles, this (MnFeCoNiZn)<sub>3</sub>O<sub>4</sub> HEO NPs maintained 50% capacity retention at 10 Ag<sup>-1</sup>. Additionally, an asymmetric supercapacitor (ASC) was constructed of ((MnFeCoNiZn)<sub>3</sub>O<sub>4</sub> HEO NPs // activated carbon (AC)) which exhibited a 1.5 V voltage window. It delivered a good energy density of 7.9 Whkg<sup>-1</sup> with a power density of 746 WKg<sup>-1</sup>. This research has paved the way for preparing the HEO NPs by simple synthesizing methods and exploration of high entropy materials in the field of supercapacitors.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100708"},"PeriodicalIF":5.5,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ajit Kumar Dhanka , Emerson C. Kohlrausch , Raghabendra Samantray , Vinod Kumar , Balaram Pani , Nityananda Agasti
{"title":"Harnessing defects in Ag/CeO2 for enhanced photocatalytic degradation of antibiotic in water: Structural characteristics, in-depth insights on mechanism, degradation pathway","authors":"Ajit Kumar Dhanka , Emerson C. Kohlrausch , Raghabendra Samantray , Vinod Kumar , Balaram Pani , Nityananda Agasti","doi":"10.1016/j.ceja.2025.100706","DOIUrl":"10.1016/j.ceja.2025.100706","url":null,"abstract":"<div><div>A highly efficient and stable CeO<sub>2</sub>-based material has been developed for photocatalytic degradation of antibiotics in water. In this study, we investigated the defects due to metal-support interaction between Ag and CeO<sub>2</sub> in the Ag/CeO<sub>2</sub> nanocomposites. Here we introduced oxygen vacancies in CeO<sub>2</sub> by incorporating Ag on the surface of CeO<sub>2.</sub> Notably, the addition of Ag to CeO<sub>2</sub> reduces the band gap energy to 2.90 eV, accompanied by an increase in Ce<sup>3</sup><sup>+</sup> content which is correlated with an increase in oxygen vacancies. X-ray photoelectron spectroscopy (XPS), Raman and EPR studies substantiated the increase in surface oxygen vacancies in CeO<sub>2</sub> induced by the interaction between Ag and CeO<sub>2</sub>. Oxygen vacancies in Ag/CeO<sub>2</sub> act as trapping sites for photogenerated electrons and successfully restrain the recombination of photogenerated electron and hole pairs, thereby exhibiting improved catalytic activity of Ag/CeO<sub>2</sub> nanocomposites. Ag/CeO<sub>2</sub> nanocomposites exhibited better catalytic performance than pristine CeO<sub>2</sub>, which is attributed to the enhanced oxygen vacancies in the nanocomposites. We investigated the effect of silver (Ag) on increasing oxygen vacancies in Ag/CeO<sub>2</sub>.Trapping experiments were conducted to identify the reactive species participating in the photocatalytic degradation process. A plausible mechanism is proposed based on critical analysis of the results from the characterization techniques of the nanocomposites and photocatalytic experiments. The possible degradation pathways for Ciprofloxacin along with the degradation intermediates have been proposed based on High resolution mass spectroscopy (HRMS) analysis. This study provides insights on structural characteristics of defective CeO<sub>2</sub>, in-depth photocatalytic mechanism and degradation pathway of ciprofloxacin, that could facilitate the exploration of other ceria-based nanocomposites for catalytic applications.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100706"},"PeriodicalIF":5.5,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Adriano S. Silva , Paulo Zadra Filho , Ana Paula Ferreira , Fernanda F. Roman , Arthur P. Baldo , Madeleine Rauhauser , Jose L. Diaz de Tuesta , Ana I. Pereira , Adrián M.T. Silva , Juliana M.T. Pietrobelli , Marzhan S. Kalmakhanova , Daniel D. Snow , Helder T. Gomes
{"title":"Occurrence of micropollutants in surface water and removal by catalytic wet peroxide oxidation enhanced filtration using polymeric membranes loaded with carbon nanotubes","authors":"Adriano S. Silva , Paulo Zadra Filho , Ana Paula Ferreira , Fernanda F. Roman , Arthur P. Baldo , Madeleine Rauhauser , Jose L. Diaz de Tuesta , Ana I. Pereira , Adrián M.T. Silva , Juliana M.T. Pietrobelli , Marzhan S. Kalmakhanova , Daniel D. Snow , Helder T. Gomes","doi":"10.1016/j.ceja.2025.100707","DOIUrl":"10.1016/j.ceja.2025.100707","url":null,"abstract":"<div><div>Monitoring campaigns of contaminants of emerging concern (CECs) in surface waters is of utmost importance in evaluating the anthropogenic impact on riparian ecosystems. Beyond identifying pollutants and threats, treatment solutions are also needed to mitigate the adverse effects caused by polluted water discharged into the environment. For years, grab samples have been used to assess water quality, but the results can be misleading since contaminants are not always found due to the low and highly variable concentrations at which they are present in these matrices. Even in such small concentrations, the contaminants can be harmful to aquatic life. Therefore, for about three months, passive samplers were used to monitor the presence of pharmaceuticals in river water up- and downstream the discharge of a wastewater treatment plant (WWTP). Passive samplers were extracted, analyzed and the results were used to identify possible pollution composition and potential sources. Our campaign enabled the identification and quantification of 28 contaminants and showed that 27 increased in amount after WWTP discharge entered the river. The statistical analysis revealed the correlation between the pollutants, showed the oscillation in their amounts, and enabled the identification of specific pollutant groups that deserve attention for treatment, such as antibiotics and antidepressants. Moreover, an innovative catalytic wet peroxide oxidation (CWPO) intensified filtration process was investigated as a possible water treatment solution, using composite polymeric membranes loaded with carbon nanotubes (CNTs). Sulfamethoxazole (SMX) was selected as a model pollutant, and 85–90 % removals were achieved in continuous flow mode during 8 h (equivalent to 2255–2315 mg m<sup>-2</sup> h<sup>-1</sup>).</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100707"},"PeriodicalIF":5.5,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Improving catalysts and operating conditions using machine learning in Fischer-Tropsch synthesis of jet fuels (C8-C16)","authors":"Parisa Shafiee, Bogdan Dorneanu, Harvey Arellano-Garcia","doi":"10.1016/j.ceja.2024.100702","DOIUrl":"10.1016/j.ceja.2024.100702","url":null,"abstract":"<div><div>Fischer-Tropsch synthesis (FTS) offers a promising route for producing sustainable jet fuels from syngas. However, optimizing catalyst design and operating conditions for the ideal C8-C16 jet fuel range is challenging. Thus, this work introduces a machine learning (ML) framework to enhance Co/Fe-supported FTS catalysts and optimize their operating conditions for a better jet fuel selectivity. For this purpose, a dataset was implemented with 21 features, including catalyst structure, preparation method, activation procedure, and FTS operating parameters. Moreover, various machine-learning models (Random Forest (RF), Gradient Boosted, CatBoost, and artificial neural networks (ANN)) were evaluated to predict CO conversion and C8-C16 selectivity. Among these, the CatBoost model achieved the highest accuracy (R<sup>2</sup> = 0.99). Feature analysis revealed that FTS operational conditions mainly affect CO conversion (37.9 %), while catalyst properties were primarily crucial for C8-C16 selectivity (40.6 %). The proposed ML framework provides a first powerful tool for the rational design of FTS catalysts and operating conditions to maximize jet fuel productivity.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100702"},"PeriodicalIF":5.5,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173988","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
José Juan Bolívar Caballero , Fereshteh Talkhab , Hanmin Yang , Samina Gulshan , Pengcheng Cao , Thomas Lewin , Pär G. Jönsson , Weihong Yang
{"title":"Renewable syngas production from electrified catalytic steam reforming of biomass pyrolysis volatiles","authors":"José Juan Bolívar Caballero , Fereshteh Talkhab , Hanmin Yang , Samina Gulshan , Pengcheng Cao , Thomas Lewin , Pär G. Jönsson , Weihong Yang","doi":"10.1016/j.ceja.2025.100705","DOIUrl":"10.1016/j.ceja.2025.100705","url":null,"abstract":"<div><div>Pyrolysis of biomass plus catalytic reforming of its pyrolysis volatiles is a green alternative to produce solid (biochar) and gaseous (syngas) fuels that have several valuable applications; however, this catalytic process suffers from fast deactivation, and its energy consumption is yet to be studied, factors that determine the process’s feasibility in industrialisation. To address these issues, the direct electrification of a 3D-printed FeCrAl heater coated with 15.5 % Ni/Al<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> was tested in a parametric study in the catalytic steam reforming of biomass pyrolysis volatiles, in order to investigate the effect of the S/B ratio and space–time on the syngas yield and composition. Complete bio-oil reforming was obtained at a biomass feed rate of <span><math><mo>≤</mo></math></span> 1 g min<sup>−1</sup> and a S/B ratio of <span><math><mo>≥</mo></math></span> 2, and stability close to 100 % was estimated after over four hours of operation. Nonetheless, the produced syngas is rich in C<span><math><msub><mrow></mrow><mrow><mn>1</mn></mrow></msub></math></span> – C<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> gases and moderately low in H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> (<span><math><mo>≈</mo></math></span> 2 wt %). The effect of the catalyst’s structure on the bio-oil reforming and heat efficiency was complemented using CFD simulations and compared to a simple geometry based on commercial extruded monoliths. Finally, the biomass-derived syngas upgrading to H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> production was assessed using different process simulations and compared to existing H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>-producing technologies in terms of energy efficiency and emissions.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100705"},"PeriodicalIF":5.5,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174989","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ana Paula Ferreira , Ana Paula S. Natal , Arthur P. Baldo , Adriano S. Silva , Jose L. Diaz de Tuesta , Pricila Marin , José A. Peres , Helder T. Gomes
{"title":"Response surface method-driven design of experiments for the synthesis of fly ash-based geopolymers in the gallic acid optimized removal from wastewater","authors":"Ana Paula Ferreira , Ana Paula S. Natal , Arthur P. Baldo , Adriano S. Silva , Jose L. Diaz de Tuesta , Pricila Marin , José A. Peres , Helder T. Gomes","doi":"10.1016/j.ceja.2024.100703","DOIUrl":"10.1016/j.ceja.2024.100703","url":null,"abstract":"<div><div>The growing need for sustainable wastewater treatment solutions has led to exploring alternative materials to explore large-scale and reliable technologies. This study focuses on optimizing the synthesis of geopolymers based on fly ash using a Box-Behnken experimental design to enhance their adsorption efficiency for phenolic compounds, as gallic acid model pollutant which are widely found in wastewater leaching from landfills. Fifteen geopolymer samples were synthesized, characterized, and tested for adsorption performance. Various techniques were employed, including X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy. The optimization process highlighted the significance of the Si/Al mass ratio, NaOH molar concentration, and Na₂SiO₃/NaOH as variables in the geopolymers production. Geopolymer samples demonstrated significant adsorption capacities, with GP_2.0_10_2.5 achieving a maximum adsorption capacity of 75.8 mg g<sup>-1</sup>. Kinetic studies indicated that the pseudo-first-order model best described the adsorption process. At the same time, equilibrium data fitted well with both Langmuir and Freundlich isotherms, with GP_2.0_10_2.5 showing the best fit for the Langmuir model. These findings reveal the potential of geopolymers derived from fly ash as cost-effective adsorbents in wastewater treatment, promoting the reuse of industrial waste within the framework of a Circular Economy.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100703"},"PeriodicalIF":5.5,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mariam Akter Mimona , Md Israfil Hossain Rimon , Fatema Tuz Zohura , Jannatul Mawya Sony , Samira Islam Rim , Md Mostafizur Rahman Arup , Md Hosne Mobarak
{"title":"Quantum dot nanomaterials: Empowering advances in optoelectronic devices","authors":"Mariam Akter Mimona , Md Israfil Hossain Rimon , Fatema Tuz Zohura , Jannatul Mawya Sony , Samira Islam Rim , Md Mostafizur Rahman Arup , Md Hosne Mobarak","doi":"10.1016/j.ceja.2025.100704","DOIUrl":"10.1016/j.ceja.2025.100704","url":null,"abstract":"<div><div>Quantum dot nanomaterials possess distinct optical and electrical properties from quantum confinement effects. These materials have notable benefits in diverse fields like solar energy conversion, bioimaging, and optoelectronic devices, owing to their high quantum yield and light emission that depends on their size. Nevertheless, the broad implementation of these technologies is impeded by problems such as exorbitant production costs, probable toxicity, and environmental instability. Novel synthesis strategies, such as nonorganometallic approaches and microwave-based procedures, are addressing these problems by strengthening safety, reducing expenses, and improving the photostability of quantum dots. This paper examines how quantum dots are created, methodologies for analyzing their properties, and possible uses in nanotechnology. It emphasizes how quantum dots have the ability to transform nanotechnology and overcome existing technological constraints. This review focuses on the most recent developments in quantum dot synthesis, exploring their diverse applications across multiple disciplines and discussing the ongoing endeavors to address the issues that come with them.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100704"},"PeriodicalIF":5.5,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhuoming Feng , Siwon Lee , Raymond J. Gorte , John M. Vohs
{"title":"Reaction engineering of the hydrogenolysis of liquid n-Alkanes: Comparison of flow and batch reaction systems","authors":"Zhuoming Feng , Siwon Lee , Raymond J. Gorte , John M. Vohs","doi":"10.1016/j.ceja.2024.100701","DOIUrl":"10.1016/j.ceja.2024.100701","url":null,"abstract":"<div><div>Currently there is much interest in developing catalysts for the hydrogenolysis of long-chain alkanes for use in the recycling and upcycling of waste polyolefins. Understanding how reactor configurations affect reactivity and product distributions for this class of reactions is equally important. To aid in this effort, here we report a study of the hydrogenolysis of the alkane, <em>n</em>-hexatriacontane (C<sub>36</sub>H<sub>74</sub>), over a Ru/SiO<sub>2</sub> catalyst in both batch and flow reactor configurations. For similar catalyst contact times and H<sub>2</sub> pressures, the C<sub>36</sub> hydrogenolysis rate was found to be significantly higher in the batch reactor compared to the flow reactor which can be attributed to H<sub>2</sub> bubbles forming inactive dry zones on the catalyst surface in the flow reactor which are less prevalent in the batch reactor. In both reactor systems the hydrogenolysis rate was found to be negative order in H<sub>2</sub> and that transport of the H<sub>2</sub> through the liquid phase to the catalyst surface was not rate limiting.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100701"},"PeriodicalIF":5.5,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mayakannan G , Karthikkumar R , Himan Dev Singh , Debanjan Chakraborty , Shyamapada Nandi
{"title":"Efficient iodine sequestration by chemically robust C-C bonded hyper-crosslinked porous organic polymers","authors":"Mayakannan G , Karthikkumar R , Himan Dev Singh , Debanjan Chakraborty , Shyamapada Nandi","doi":"10.1016/j.ceja.2024.100700","DOIUrl":"10.1016/j.ceja.2024.100700","url":null,"abstract":"<div><div>Capturing radioiodine from off-gas mixture or contaminated solution is crucial for maintaining environmental safety and public health. However, this is technically challenging because of many factors like low concentration of iodine, harsh operational conditions such as high temperature, presence of high humidity & acidic vapors etc. Herein we report three highly robust hyper-crosslinked porous organic frameworks named IISERP-POF6, IISERP-POF7 and IISERP-POF8 for effective iodine sequestration from the vapour phase as well as solution phase. These polymers not only exhibited an impressive iodine capture capacity (200 mg/g at 25 °C) from a solution having a low iodine concentration (250 mg/L) but also displayed a decent iodine capture capacity (∼2.87 g/g) in the vapour phase at 75 °C. The polymers being chemically robust can be employed in very harsh operating conditions and recycled easily with no loss of iodine capacity. X-ray photoelectron spectroscopy analysis of the I<sub>2</sub>-loaded polymers indicated the presence of molecular iodine (I<sub>2</sub>) and polyiodide (I<sub>3</sub><sup>-</sup>/I<sub>5</sub><sup>-</sup>) species in the polymeric frameworks. Density Functional Theory (DFT) studies revealed the interaction of the iodine with the methyl C-H and methylene C-H groups with a short contact distance of 3.4–3.5 Å Additionally, there have been favorable interactions between the π-electron clouds of the monomers such as pyrene, naphthene, and triphenylmethane with iodine/polyiodide species.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100700"},"PeriodicalIF":5.5,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}