CFD-DEM-VDGM method for simulation of particle fluidization behavior in multi-ring inclined-hole spouted fluidized bed

The simulation of particle fluidization behavior in a complex geometry with a large number of particles is challenging owing to the complexity of unstructured c...     

Homogeneous Reforming of Aqueous Ethylene Glycol to Glycolic Acid and Pure Hydrogen Catalyzed by Pincer-Ruthenium Complexes Capable of Metal–Ligand Cooperation

Glycolic acid is a useful and important α-hydroxy acid that has broad applications. Herein, the homogeneous ruthenium catalyzed reforming of aqueous ethylene glycol to generate glycolic acid as well as pure hydrogen gas, without concomitant CO₂ emission, is reported. This approach provides a clean and sustainable direction to glycolic acid and hydrogen, based on inexpensive, readily available, and renewable ethylene glycol using 0.5 mol % of catalyst. In-depth mechanistic experimental and computational studies highlight key aspects of the PNNH-ligand framework involved in this transformation.     

Tetrachlorosilane–Sodium Azide System in the Synthesis of Tetrazole-Containing D,L-Tryptophane Derivatives

Russian Journal of Organic Chemistry -     

Photorefractive saturable absorptive and dispersive optical bistability

It is shown that photorefractive wave-mixing gives saturable gain, saturable absorption and Kerr-like nonlinear phase retardation. An analogy between photorefractive two-beam coupling and two-level atom system is then drawn. We investigate optical bistability in a ring cavity, utilizing these phenomena, and compare our results with classical absorptive and dispersive optical bistability.     

The meaning and significance of quantum states

Recent investigations have conclusively proved that, because of their collapse, quantum states transform noncovariantly under Lorentz transformations. This result is shown to imply that quantum states do not represent probability distributions for the results of measurements. They represent, rather, perspectives of such probability distributions from the point of view of the frame of reference in which they are given. The ontological status of these perspectives of potentialities is discussed. It is conjectured that they propagate from the location of a measurement to the origins of all frames of reference at the speed of light.This work was supported in part by the Colgate Research Council.     

Hybrid approach to the synthesis of highly luminescent CdTe/ZnS and CdHgTe/ZnS nanocrystals

We report the synthesis of highly luminescent CdTe/ZnS and CdHgTe/ZnS core/shell semiconductor nanocrystals (NCs). A hybrid of two synthesis routes leads to novel nanocrystal compositions and small core/shell sizes (4-5 nm) that emit in the far-red and near-infrared regions. These particles exhibit higher resistance to oxidation and photobleaching, have high quantum yields, and could be used for biological labeling and imaging.     

Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene

Quantum chemical calculations have been performed on the ground state and several low-lying excited states of bromobenzene, ortho-, meta-, and para-dibromobenzene, and 1,3,5-tribromobenzene using high-level ab initio and hybrid density-functional methods. Experimental observations of ultrafast predissociation in these molecules are clarified from extensive theoretical information about all low-energy potential-energy curves together with symmetry arguments. The intriguing observation that o- and m-dibromobenzene have two ultrafast predissociation channels while bromobenzene, p-dibromobenzene, and 1,3,5-tribromobenzene only have one such channel is explained from the calculated potential-energy curves. These show that the lowering of point-group symmetry from C2v to Cs along the main photodissociation reaction coordinate, which only occurs in o- and m-dibromobenzene, opens up a new predissociation channel. Dynamical quantum simulations based on the calculated potential-energy curves are used to estimate the coupling strength at the intersystem crossing point in bromobenzene.     

Density-induced coupling effects on the dispersivity of a flexible chain particle

A model is introduced to investigate the transport properties of an inhomogeneously dense flexible chain particle. The specific model used is a sedimenting non-neutrally buoyant inhomogenously weighted flexible Brownian dumbbell, and it is shown that density inhomogeneity gives rise to a novel coupling effect between the "shape-fluctuation" and "size-fluctuation" dispersion mechanisms. The previously reported shape-fluctuation dispersion term stems from the dumbbell's nonspherical shape and the ensuing anisotropic mobility tensor, while the already investigated size fluctuation term is the result of the dependence of the overall dumbbell translational mobility on the separation distance between the constitutive spheres. Because the density of the constitutive spheres is unequal, the external force simultaneously reorients and deforms the flexible dumbbell, and it is this mutual dependence between dumbbell orientation and size that induces the coupling. Numerical results are presented for the case of a tethered dumbbell composed of two spheres, identical in size but differing in density. The "weak-field" limit is addressed, where the externally applied torque and particle deformation forces are dominated by the thermal fluctuations associated with rotational and deformation Brownian motion. This numerical solution, obtained by including a large number of higher order hydrodynamic interactions (120 terms), describes the Brownian particle's long-time transport without resorting to ad hoc approximations, such as preaveraging the hydrodynamic force or incorporating only first-order hydrodynamic interaction effects (such as employing the Burgers-Oseen tensor). Separate analytical solutions, based on these respective approximations, are also presented and it is concluded that in the limit of "long tethers," where the ratio of tether length to sphere size is greater than seven, no more than 15% error is introduced by neglecting higher-order hydrodynamic interactions. Similarly, the preaveraging approximation introduces no more than a few percent error in the limit of "almost-rigid" dumbbells, where the ratio of tether length to sphere size is less than three. For tethers of "intermediate" length, the full numerical solution must be employed.     

Visco-elastic and adhesive properties of adsorbed polyelectrolyte multilayers determined in situ with QCM-D and AFM measurements

The build-up of multilayers constructed from polyallylamine hydrochloride (PAH) and polyacrylic acid (PAA) under different pH conditions was continuously monitored using the quartz crystal microbalance with dissipation. The adsorbed amount of polymer as well as the amount of coupled water was determined. Furthermore, from dissipation measurements, it was possible to determine the visco-elastic properties of the adsorbed multilayer. These properties were highly dependent on the polyelectrolyte present in the outermost layer. The multilayer was far more rigid and elastic with PAA as the outermost layer. Furthermore, a link has been established between the conformability or rigidity of a multilayer covered surface and the adhesion between such surfaces. Adhesion measurements using the atomic force microscope showed a greater pull-off force when the more viscous PAH was present in the outermost layer.