Bernardkjer3865

This drying process reduces the EFB moisture content from 48 to 20%. Copyright © 2020 American Chemical Society.With the aim to develop chemical adsorbents that are inherently nontoxic to living beings and the environment, a gel system based on thiol-norbornene photoclick chemistry was developed. Norbornene was strategically functionalized with different poly(ethylene glycol) (PEG) chains to produce PEG-functionalized macromonomers. The influence of incorporating PEG in the cross-linked network was evaluated on the basis of its physical properties and dye-removing efficiency from aqueous solutions. The excellent swelling ability of the gels in organic solvents was found to improve with the PEG chain length. The rheological measurements of the as-synthesized materials also exhibited the presence of elasticity in the network, and a decrease in storage and loss moduli was observed with an increase in PEG molecular weight. The materials possess excellent thermal stability, which enhanced with an increase in PEG chain length, as revealed from thermogravimetric analysis (TGA). Differential scanning calorimetry (DSC) studies revealed the tendency of higher-molecular-weight PEG to form a crystalline phase in the network. Kinetic studies of dye removal from aqueous solutions by the as-prepared cross-linked networks indicate that the dye removal proceeds via pseudo-second-order kinetics. The study of adsorption isotherm of the removal process indicates that the adsorption follows the Langmuir isotherm model. In this present work, we have thoroughly evaluated the influence of PEG chain length on several physical properties and toxic cationic dye removal efficiencies of thiol-norbornene photo-cross-linked networks. Copyright © 2020 American Chemical Society.Investigating how grain structure affects the functional properties of nanoparticles requires a robust method for nanoscale grain mapping. Selleck PD173212 In this study, we directly compare the grain mapping ability of transmission Kikuchi diffraction (TKD) in a scanning electron microscope to automated crystal orientation mapping (ACOM) in a transmission electron microscope across multiple nanoparticle materials. Analysis of well-defined Au, ZnO, and ZnSe nanoparticles showed that the grain orientations and GB geometries obtained by TKD are accurate and match those obtained by ACOM. For more complex polycrystalline Cu nanostructures, TKD provided an interpretable grain map whereas ACOM, with or without precession electron diffraction, yielded speckled, uninterpretable maps with orientation errors. Acquisition times for TKD were generally shorter than those for ACOM. Our results validate the use of TKD for characterizing grain orientation and grain boundary distributions in nanoparticles, providing a framework for the broader exploration of how microstructure influences nanoparticle properties. Copyright © 2020 American Chemical Society.We developed a novel substrate for the collection of volatile organic compounds (VOCs) emitted from either living or dried plant material to be analyzed by surface-enhanced Raman spectroscopy (SERS). We demonstrated that this substrate can be utilized to differentiate emissions from blends of three teas, and to differentiate emissions from healthy cotton plants versus caterpillar-infested cotton plants. The substrate we developed can adsorb VOCs in static headspace sampling environments, and VOCs naturally evaporated from three standards were successfully identified by our SERS substrate, showing its ability to differentiate three VOCs and to detect quantitative differences according to collection times. In addition, volatile profiles from plant materials that were either qualitatively different among three teas or quantitatively different in abundance between healthy and infested cotton plants were confirmed by collections on Super-Q resin for dynamic headspace and solid-phase microextraction for static headspace sampling, respectively, followed by gas chromatography to mass spectrometry. Our results indicate that both qualitative and quantitative differences can also be detected by our SERS substrate although we find that the detection of quantitative differences could be improved. Copyright © 2020 American Chemical Society.A green composite of organically modified bentonite supported by Co3O4 nanoparticles (OB/Co) was successfully fabricated and investigated as a potential eco-friendly, low-cost adsorbent and photocatalyst for promising removal of both malachite green dye (MG.D) and Cr(VI) ions. The composite showed high adsorption properties and achieved experimental q max values of 223 and 139 mg/g for MG.D and Cr(VI) after equilibration times of 360 min and 480 min for the inspected contaminants, respectively. The kinetic and equilibrium inspection reflected the best description of their adsorption behaviors by the pseudo-first-order kinetic model and the Langmuir isotherm model, respectively. This revealed favorable and homogeneous uptake of both MG.D and Cr(VI) in a monolayer form with theoretical Langmuir q max values of 343.6 and 194.5 mg/g, respectively. The theoretical adsorption energies of MG.D (0.6 kJ/mol) and Cr(VI) (0.5 kJ/mol) from the Dubinin-Radushkevich (D-R) model revealed physisorption properties that might be resulted from some types of Coulombic attractive forces, achieving theoretical q max values of 226.5 and 144.6 mg/g, respectively. The suggested adsorption mechanism was confirmed by the main mathematical parameters of thermodynamic studies that revealed physical, spontaneous, and exothermic uptake processes. Also, the composite showed high photocatalytic performance under visible light, which resulted in a 100% removal percentage of 100 mg/L of MG.D and Cr(VI) after about 180 and 240 min, respectively, from the adsorption equilibrium time. Copyright © 2020 American Chemical Society.How the methyl torsion transition energy in unsaturated systems is affected by its environment is investigated. It is strongly influenced by both its immediate neighborhood, (the number of methyl groups present in the molecule) and the intermolecular interactions. It is clear that the intermolecular interactions have a major influence on the torsion transition energy, as demonstrated unambiguously previously for mesitylene and also seen here for other systems. In part, this may be caused by the fact that the methyl torsion is rarely a pure mode (unless enforced by symmetry). Where the crystal structure is available, the assignments have been supported by CASTEP calculations of the unit cell. The agreement between the observed and calculated spectra is generally good, although not perfect, toluene being a case in point, and highlights just how demanding it is to obtain accurate transition energies for low energy modes. The disagreement between observed and calculated inelastic neutron scattering spectra for meta-xylene and 9,10 dimethylanthracene is so severe that it would suggest that there are additional phases to those presently known. Comparison between the full periodic calculations and those for the isolated molecule shows that intermolecular interactions raise the methyl torsion transition energy by at least 8% and in some cases by more than 50%. The presence of more than one methyl group in the molecule generally raises the average torsion energy from the less then 100 cm-1 seen for single methyl groups to 150-200 cm-1. Copyright © 2020 American Chemical Society.Large-scale commercial synthesis of bulk-heterojunction (BHJ) solar cell materials is very challenging and both time and energy consuming. link2 Synthesis of π-conjugated polymers (CPs) with uniform batch-to-batch molecular weight and low dispersity is a key requirement for better reproducibility of high-efficiency polymer solar cells. Herein, a conjugated polymer (CP) PTB7-Th, well known for its high performance, has been synthesized with high molecular weight and low dispersity in a closed microwave reactor. The microwave reaction procedure is known to be more controlled and consumes less energy. The precursors were strategically reacted for different reaction time durations to obtain the optimum molecular weight. All different CPs were well characterized using 1H NMR, gel permeation chromatography (GPC), UV-vis, photoluminescence (PL), electron spin resonance (ESR), and Raman spectroscopy, whereas the film morphology was extensively studied via atomic force microscopy (AFM) and grazing incidence X-ray diffraction (GIXRD) techniques. The effect of molecular weight on a conventional BHJ solar cell with PC71BM acceptor was investigated to derive systematic structure-property relationships. The CP obtained after 35 min of reaction time and integrated into BHJ devices under ambient conditions provided the best performance with a power conversion efficiency (PCE) of 8.09%, which was quite similar to the results of CPs synthesized via a thermal route. An enhanced PCE of 8.47% was obtained for the optimized polymer (35 min microwave reaction product) when device fabrication was carried out inside a glovebox. The organic thin-film transistor (OTFT) device with the microwave-synthesized CP displayed better hole mobility (0.137 cm2 V-1 s-1) as compared to that with the thermally synthesized CP. This study also proved that the device stability and reproducibility of the microwave-synthesized CP were much better and more consistent than those of the thermally developed CP. Copyright © 2020 American Chemical Society.A novel MoS2-DOPO hybrid has been successfully synthesized through the grafting of 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) on the surface of MoS2 nanosheets using allyl mercaptan as an intermediate. MoS2-DOPO was used as a flame retardant additive to prepare flame-retardant flexible polyurethane foam (FPUF). The influence of MoS2-DOPO on the mechanical, thermal stability, and flame retardancy properties of FPUF composites were systematically investigated. The incorporation of MoS2-DOPO could not deteriorate greatly the tensile strength and 50% compression set of FPUF composites, but effectively improves the char residue. The cone calorimeter and smoke density tests results revealed that the peak heat release rate, total heat release, and the maximum smoke density of the MoS2-DOPO/FPUF composite were reduced by 41.3, 27.7, and 40.5%, respectively, compared with those of pure FPUF. Furthermore, the char residue after cone calorimeter tests and pyrolysis gaseous products of the MoS2-DOPO/FPUF composite were analyzed by scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, and thermogravimetric analysis/infrared spectrometry. link3 The results suggested that the MoS2-DOPO hybrid played a synergistic flame retardant effect of gas and condensed bi-phase action. In addition, a possible flame retardancy and smoke suppression mechanism of the MoS2-DOPO/FPUF composite were proposed. This study provides a facile and promising strategy for the fabrication of polymer materials with excellent flame retardancy and smoke suppression properties. Copyright © 2020 American Chemical Society.Hierarchical ZnO/ZSM-5 catalysts were prepared by desilication and impregnation with 2 wt % metallic ZnO. X-ray diffraction and Fourier transform infrared (FTIR) results showed that the structures of the hierarchical zeolites were relatively preserved despite desilication but were accompanied with sequential loss in crystallinity, likewise Bro̷nsted acidity causing decline in conversion or activity of the catalyst. However, pyridine FTIR shows enhancement of the Bro̷nsted acidic sites. Throughout the activity test, the hierarchical ZnO/ZSM-5 catalysts showed an outstanding performance within 5 h on stream with the average aromatic (benzene, toluene, and xylenes) selectivity trend, represented by their NaOH concentrations 0.3 M > 0.4 M > 0.2 M > 0.1 M corresponding to 61.0, 53.5, 40.3, and 36.8%, respectively. Their average propane conversions within the same period followed a consecutive trend 0.1 M > 0.2 M > 0.3 M > 0.4 M conforming to 34.1, 24.8, 17.3, and 10.2%, respectively. These were compared with that of the reference (ZnO/ZSM-5), which exhibited an average aromatic selectivity of 25.