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Porous Ionic Liquids (PILs) have gained attention but facing challenges in catalysis, especially in liquid‐liquid two‐phase reactions due to limited catalytic sites and hydrophilicity control. This work engineered a Type III PILs (PILS‐M) using zeolitic imidazolate framework‐8 (ZIF‐8) confined phosphomolybdic acid (HPMo) as the microporous framework and N‐butyl pyridine bis(trifluoromethane sulfonyl) imide ionic liquid ([Bpy][NTf2]) as the solvent. The PILS‐M not only combines the advantages of traditional ionic liquids and microporous frameworks, including excellent extraction, high dispersion of catalytically active species, remarkable stability, etc., but also can make the inner surface of ZIF‐8 turned to be hydrophilic that favors the contact between aqueous hydrogen peroxide oxidant and catalytically active sites for the promotion of catalytic performance in reactive extractive desulfurization (REDS) processes of fuel oils. This study demonstrates Type III PILs' potential as catalysts for sustainable chemical processes, offering insights into versatile PILs applications in diverse fields.
Porous Ionic Liquids (PILs) have gained attention but facing challenges in catalysis, especially in liquid‐liquid two‐phase reactions due to limited catalytic sites and hydrophilicity control. This work engineered a Type III PILs (PILS‐M) using zeolitic imidazolate framework‐8 (ZIF‐8) confined phosphomolybdic acid (HPMo) as the microporous framework and N‐butyl pyridine bis(trifluoromethane sulfonyl) imide ionic liquid ([Bpy][NTf2]) as the solvent. The PILS‐M not only combines the advantages of traditional ionic liquids and microporous frameworks, including excellent extraction, high dispersion of catalytically active species, remarkable stability, etc., but also can make the inner surface of ZIF‐8 turned to be hydrophilic that favors the contact between aqueous hydrogen peroxide oxidant and catalytically active sites for the promotion of catalytic performance in reactive extractive desulfurization (REDS) processes of fuel oils. This study demonstrates Type III PILs' potential as catalysts for sustainable chemical processes, offering insights into versatile PILs applications in diverse fields.
The study of porous liquids (PLs) using molecular dynamics (MD) simulation is one of the most interesting and attractive research topics. The possibility of creating permanent porosity in a solvent and increasing its adsorption capacity is very practical. The purpose of the present study is to examine how an MD model can be developed to evaluate the possibility of PL formation. Additionally, the validation of the model was conducted by simulations using two metal–organic frameworks (MOFs) including zeolitic imidazolate framework-8 (ZIF-8) and Hong Kong University of Science and Technology-1 (HKUST-1) as porogens and water (H2O) and triethylene glycol (TEG) as solvents. The results revealed that H2O and TEG are incapable of penetrating the ZIF-8 pores due to their small size and unfavorable thermodynamics; however, both solvents easily penetrate through the large HKUST-1 pores. These observations aligned with findings from experimental literature studies, thus confirming the validity of the model. In order to expand the model’s scope, the developed model was used to assess the possibility of PL formation using ZIF-8 and HKUST-1 with different pore and window sizes and shapes, and a wide range of hydrocarbon liquids with different molecular sizes and shapes as solvents. It was found that ZIF-8 can form PLs with a more extensive range of sterically hindered solvents due to its smaller apertures and incompatible shape. In addition, only a few solvents (e.g., n-pentane, benzene, 1,3,5-trimethylbenzene, 1,3,5-triisopropylcyclohexane, and 1,3,5-triisopropylbenzene) can partially penetrate its ZIF-8 pores without steric hindrance. These privileged solvents typically have an aspect ratio far from 1, indicating a more elongated shape, and/or more linear branches. In contrast, HKUST-1, which has larger apertures and a compatible shape, allows for complete penetration of specific solvents (e.g., benzene, iso-octane, n-pentane), thereby preventing PL formation with such combinations. In addition, cyclohexane has the ability to partially penetrate the pores of HKUST-1. Therefore, in addition to the size of the solvent molecule, one of the most important properties for penetration is the compatibility of the shape of the porogen pore window with the shape of the solvent molecule. This research provides important new information on how PLs come to be by illuminating the role that solvent molecules and porogen play in promoting penetration and, in the end, impacting the process of PL formation.
Since CO2 is an important component of gas emissions, its removal from gas streams is of the utmost importance to fulfill various environmental requirements. The technologies used to accomplish this removal are based mainly on absorption, as well as adsorption and membrane processing. Among the materials used in the above separation processes, materials in nano forms offer a potential alternative to other commonly used macromaterials. The present work reviews the most recent publications (2023) about CO2 capture using different nanomaterials, and whilst most of these publications were dedicated to investigating the above, several presented data on the separation of CO2 from other gases, namely nitrogen and methane. Furthermore, a number of publications investigated the recyclability of nanomaterials under continuous use, and just three of the references were about computational modeling; all others were experimental papers, and only one reference used a real industrial gas.
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