Project description:Composites of metal-organic frameworks and carbon materials have been suggested to be effective materials for the decomposition of chemical warfare agents. In this study, we synthesized UiO-66-NH2/zeolite-templated carbon (ZTC) composites for the adsorption and decomposition of the nerve agents sarin and soman. UiO-66-NH2/ZTC composites with good dispersion were prepared via a solvothermal method. Characterization studies showed that the composites had higher specific surface areas than pristine UiO-66-NH2, with broad pore size distributions centered at 1-2 nm. Owing to their porous nature, the UiO-66-NH2/ZTC composites could adsorb more water at 80% relative humidity. Among the UiO-66-NH2/ZTC composites, U0.8Z0.2 showed the best degradation performance. Characterization and gas adsorption studies revealed that beta-ZTC in U0.8Z0.2 provided additional adsorption and degradation sites for nerve agents. Among the investigated materials, including the pristine materials, U0.8Z0.2 also exhibited the best protection performance against the nerve agents. These results demonstrate that U0.8Z0.2 has the optimal composition for exploiting the degradation performance of pristine UiO-66-NH2 and the adsorption performance of pristine beta-ZTC.
Project description:The ability to efficiently predict adsorption properties of zeolites can be of large benefit in accelerating the design process of novel materials. The existing configuration space for these materials is wide, while existing molecular simulation methods are computationally expensive. In this work, we propose a model which is 4 to 5 orders of magnitude faster at adsorption properties compared to molecular simulations. To validate the model, we generated data sets containing various aluminum configurations for the MOR, MFI, RHO and ITW zeolites along with their heat of adsorptions and Henry coefficients for CO2, obtained from Monte Carlo simulations. The predictions obtained from the Machine Learning model are in agreement with the values obtained from the Monte Carlo simulations, confirming that the model can be used for property prediction. Furthermore, we show that the model can be used for identifying adsorption sites. Finally, we evaluate the capability of our model for generating novel zeolite configurations by using it in combination with a genetic algorithm.
Project description:Zeolites have been investigated as sorbents of heavy metals from water. Since graphene oxide was already reported as promising radionuclide sorbent, we developed composite materials containing both a synthetic zeolite (type A, P or Y) and graphene oxide to be multifunctional sorbents. The extension of multifunctionality of sorbents was done by presence of third component, exfoliated graphite, to have additional properties as conductivity. The changing sorption activities of a composite was studied depending on its composition and functional modification. The composites, characterized by X-ray powder diffraction, Raman, FTIR spectroscopy and scanning electron microscopy, were tested for sorption of selected radionuclides (134Cs+, 85Sr2+) and heavy metals (Pb2+, Cd2+). The dependency on composition was found in connection with a high sorption of Pb2+ and Cd2+. Finally, optimized multifunctional sorbents (Gr-GO-COOH-A in ratio 40:40:20 and Gr:GO:A in ratio 25:25:50) were found to keep interesting high sorption activities for heavy metals and radionuclides with good conductivity properties.
Project description:Silica aerogels are a class of materials that can be tailored in terms of their final properties and surface chemistry. They can be synthesized with specific features to be used as adsorbents, resulting in improved performance for wastewater pollutants' removal. The purpose of this research was to investigate the effect of amino functionalization and the addition of carbon nanostructures to silica aerogels made from methyltrimethoxysilane (MTMS) on their removal capacities for various contaminants in aqueous solutions. The MTMS-based aerogels successfully removed various organic compounds and drugs, achieving adsorption capacities of 170 mg⋅g-1 for toluene and 200 mg⋅g-1 for xylene. For initial concentrations up to 50 mg⋅L-1, removals greater than 71% were obtained for amoxicillin, and superior to 96% for naproxen. The addition of a co-precursor containing amine groups and/or carbon nanomaterials was proven to be a valuable tool in the development of new adsorbents by altering the aerogels' properties and enhancing their adsorption capacities. Therefore, this work demonstrates the potential of these materials as an alternative to industrial sorbents due to their high and fast removal efficiency, less than 60 min for the organic compounds, towards different types of pollutants.
Project description:In this study, we examine the effect of integrating different carbon nanostructures (carbon nanotubes, CNTs, graphene nanoplatelets, GNPs) into Ni- and Ni-W-based bi-functional catalysts for hydrocracking of heptane performed at 400 °C. The effect of varying the SiO2/Al2O3 ratio of the zeolite Y support (between 5 and 30) on the heptane conversion is also studied. The results show that the activity, in terms of heptane conversion, followed the order CNT/Ni-ZY5 (92%) > GNP/Ni-ZY5 (89%) > CNT/Ni-W-ZY30 (86%) > GNP/Ni-W-ZY30 (85%) > CNT/Ni-ZY30 (84%) > GNP/Ni-ZY30 (83%). Thus, the CNT-based catalysts exhibited slightly higher heptane conversion as compared to the GNP-based ones. Furthermore, bimetallic (Ni-W) catalysts possessed higher BET surface areas (725 m2/g for CNT/Ni-W-ZY30 and 612 m2/g for CNT/Ni-ZY30) and exhibited enhanced hydrocracking activity as compared to the monometallic (Ni) catalyst with the same zeolite support and type of carbon structure. It was also shown that CNT-based catalysts possessed higher regeneration capability than their GNP-based counterparts due to the slightly higher thermal stability of the CVD-grown CNTs.
Project description:In this research, we investigated the hydrophobicity and dynamic adsorption-desorption behaviors of volatile organic compounds (VOCs) by applying different optimized coating dosage (25, 50, and 75%) on designed novel ZSM-5/MCM-41 and ZSM-5/Silicalite-1 hierarchical composites. The relatively large specific surface area and pore volume of adsorbents ZSM-5/MCM-41 and ZSM-5/Silicalite-1 composites with excellent stability were affirmed by ex-situ XRD, FTIR, BET, SEM, and water contact angle analyses. Regarding, toluene adsorption-desorption investigation, ZSM-5/MCM-41 composite lead a longer stable toluene breakthrough time no matter under dry or 50% humid conditions. However, under different loading dosage condition, the breakthrough time of 75% coating ratio was the longest, which was 1.6 times as long as that of pure ZSM-5 under wet adsorption. Meanwhile, the complete elimination of toluene for ZSM-5/MCM-41-75% was done by largest desorption peak area and the lowest desorption temperature of 101.9°C, while, the largest contact angle of ZSM-5/MCM-41-75% was 17.0° higher than pure ZSM-5 zeolite. Therefore, we believe that the present hydrophobic sorbent will provide new insight with great research potential for removing low concentration of VOCs at industrial scale.
Project description:Recent studies on the removal of pollutants via adsorption include the use of carbon-based adsorbents, due to their high porosity and large surface area; however, such materials lack photoactive properties. This study evaluates the synergistic effect of integrated mesoporous carbon xerogel (derived from resorcinol formaldehyde) and titanium dioxide (TiO2) for combined adsorption and photodegradation application. The complex formed between carbon xerogel and TiO2 phase was investigated through FTIR, proving the presence of a Ti-O–C chemical linkage. The physicochemical properties of the synthesised adsorbent–photocatalyst were probed using FESEM, BET analysis and UV–Vis analysis. The kinetics, equilibrium adsorption, effect of pH, and effect of adsorbent dosage were investigated. The expansion of the absorbance range to the visible range was verified, and the corresponding band gap evaluated. These properties enabled a visible light response when the system was exposed to visible light post adsorption. Hence, an assistive adsorption–photodegradation phenomenon was successfully executed. The adsorption performance exhibited 85% dye degradation which improved to 99% following photodegradation. Further experiments showed the reduction of microorganisms under visible light, where no microbial colonies were observed after treatment, indicating the potential application of these composite materials.
Project description:The purpose of this dataset is to provide a comparison between synthesized and commercial 4A and 13X type zeolites. Metakaolin produced from the calcination of beneficiated kaolin at 750 °C for 4 h was dealuminated using sulphuric acid to get the required silica to alumina ratio for the zeolite synthesis. Zeolite 4A and 13X samples were characterized along-side with the commercial variants using X-ray fluorescence (XRF), X-ray diffraction (XRD), Brunauer, Emmett and Teller (BET) and scanning electron microscopy (SEM) techniques. These analyses revealed that, the zeolites synthesized are of comparatively acceptable quality. The pore size of 120.859 nm, pore volume of 0.0065 cm3/g and surface area of 22 m2/g were obtained from BET analyses for zeolite 4A synthesized from kaolin, while the commercial zeolite 4A used as control gave pore size of 58.143 nm, pore volume of 0.2462 cm3/g and surface area of 559.13 m2/g. In the same vein, the pore size of 10.5059 nm, pore volume of 0.135847 cm3/g and surface area of 324.584 m2/g were obtained from BET analyses for zeolite 13X synthesized from kaolin, while the commercial zeolite 13X gave pore size of 7.2752 nm, pore volume of 0.135951 cm3/g and surface area of 310.0906 m2/g.
Project description:The synthesis of magnetic iron-carbon composites (Fe/C) from waste avocado seeds via hydrothermal carbonization (HTC) has been demonstrated for the first time. These materials are shown to be effective in adsorption and catalytic applications, with performances comparable to or higher than materials produced through conventional processing routes. Avocado seeds have been processed in high-temperature water (230 °C) at elevated pressure (30 bar at room temperature) in the presence of iron nitrate and iron sulfate, in a process mimicking natural coalification. Characterization of the synthesized material has been carried out by X-ray diffraction (XRD), atomic absorption spectroscopy (AAS), X-ray fluorescence (XRF), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma-optical emission spectrometry (ICP-OES), Fourier-transform infrared spectroscopy (FT-IR), magnetometry, and through surface area measurements. The supported iron particles are observed to be predominately magnetite, with an oxidized hematite surface region. The presence of iron catalyzes the formation of an extended, ordered polymeric structure in the avocado seed-derived carbon. The magnetic Fe/C has been demonstrated as an adsorbent for environmental wastewater treatment using methylene blue and indigo carmine. Kinetic analysis suggests that the adsorbates are chemisorbed, with the positive surface charge of Fe/C being preferential for indigo carmine adsorption (49 mg g-1). Additionally, Fe/C has been evaluated as a heterogeneous catalyst for the hydroalkoxylation of phenylacetylene with ethylene glycol to 2-benzyl-1,3-dioxolane. Product yields of 45% are obtained, with 100% regioselectivity to the formed isomer. The solid catalyst has the advantages of being prepared from a waste material and of easy removal after reaction via magnetic separation. These developments provide opportunities to produce carbon-based materials for a variety of high-value applications, potentially also including energy storage and biopharmaceuticals, from a wide range of lignocellulosic biomass feedstocks.