Radio frequency (RF) induction heating was compared to conventional thermal heating for the hydrogenation of oleic acid to stearic acid. The RF reaction demonstrated decreased coke accumulation and increased product selectivity at comparable temperatures over mesoporous FeO catalysts composed of 28-32 nm diameter nanoparticles. The FeO supports were decorated with Pd and Pt active sites and served as the local heat generators when subjected to an alternating magnetic field.
View Article and Find Full Text PDFLow- and high-density polyethylene (LDPE/HDPE) have been selectively depolymerized, without added H, to C2-C20 + alkanes/alkenes via energy-efficient radio frequency induction heating, coupled with dual-functional heterogeneous FeO and Ni- or Pt-based catalysts. FeO was used to locally generate heat when exposed to magnetic fields. Initial results indicate that zeolite-based Ni catalysts are more selective to light olefins, while Ni supported on ceria catalysts are more selective to C7-C14 alkanes/alkenes.
View Article and Find Full Text PDFThe presence of surface/deep defects in 4d- and 5d-perovskite oxide (ABO, B = Nb, Ta, Mo, etc.) nanoparticles (NPs), originating from multivalent B-site cations, contributes to suppressing their metallic properties. These defect states can be removed using a H/Ar thermal treatment, enabling the recovery of their electronic properties (i.
View Article and Find Full Text PDFTheoretical descriptions of molecular-scale solvation frequently invoke contributions proportional to the solvent exposed area, under the tacit expectation that those contributions are tied to a surface tension for macroscopic surfaces. Here we examine the application of revised scaled-particle theory (RSPT) to extrapolate molecular simulation results for the wetting of molecular-to-meso-scale repulsive solutes in liquid water and decane to determine the interfacial free energies of hard, flat surfaces. We show that the RSPT yields interfacial free energies at ambient pressures that are consistently greater than that obtained from the liquid-vapor surface tensions of water and decane by ∼4%.
View Article and Find Full Text PDFA solute's partial molar volume determines its response to pressure, which can result in changes in molecular conformation or assembly state. Computing speed advances have made accurate partial molar volume evaluation in water routine, allowing for the dissection of the molecular factors underlying this significant thermodynamic variable. A recent simulation analysis of the volumes of nonpolar molecular solutes in water reported that the apparent solvent-free border thickness enshrouding these solutes grows with increasing solute size, based on the assumption the solute can be treated as an individual sphere [Biophys.
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