Synthesis and analysis of some adducts of 3,5-dinitrobenzamide

Adducts of 3,5-dinitrobenzamide, 1, with dimethylsulfoxide (DMSO), water and aza donor molecules like 4,4′-bipyridyl, 3, 1,2-bis(4-pyridyl)ethene, 4 and 1,2-bis(4-pyridyl)ethane, 5 are reported. While DMSO adduct was obtained by crystallization of 1 from DMSO, all other adducts were obtained by co-crystallization of 1 with the respective substrates from CH₃OH, except the water adduct. The water adduct, however, was obtained during the co-crystallization of 1 with 4-chloro or 4-aminobenzamide, but not upon crystallization from water directly. The adducts of aza donor compounds, 3-5 crystallize as solvates, incorporating solvent of crystallization. All these adducts were characterized by single crystal X-ray diffraction methods. All the adducts crystallize in centrosymmetric space groups with the amide moiety forming cyclic hydrogen bonds.     

Suppressing the effect of disorders using time-reversal symmetry breaking in magneto-optical photonic crystals: An illustration with a four-port circulator

In integrated optical systems, nonreciprocal elements are indispensable devices that eliminate multi-path reflection between components. To miniaturizing these devices down to a single-wavelength scale, we study nonreciprocal effects in point defects of magneto-optical photonic crystals. The nonreciprocal effect splits degenerate mode pairs and its strength is maximized by spatially matching the magnetic domain pattern with a modal cross product. The resultant eigenmodes are a pair of counter-rotating states that lack time-reversal symmetry. Based upon these eigenmodes, we propose a micro-cavity four-port circulator constructed by coupling a magneto-optical cavity with two waveguides, where each rotating state supports light tunneling along a different direction. In the presence of strong magneto-optical couplings, due to time-reversal symmetry breaking, the performance of the isolator is fundamentally protected from the effect of small structural fluctuations. Numerical calculations demonstrate a four-port circulator with a 26 dB isolation and a roughness tolerance on the order of 0.1a, where a is the lattice constant of the crystal.     

Inhomogeneous phase separation kinetics in liquid binary mixtures: Sensitivity to initial local composition 2

The kinetics of phase separation subsequent to a finite temperature quench is assumed to be driven by diffusion on the altered free energy surface and is generally assumed to be slow. The situation can be different in phase separating liquid binary mixtures, especially for systems characterized by the large difference in mutual interactions between solute and solvent molecules. In such cases, the phase separation kinetics could be fast and may get completed within a short time (ns) scale. As a result, in these systems, one may observe diverse dynamical features arising out of local heterogeneity leading to the onset of phase separation through pattern formation, spinodal decomposition, nucleation, and growth. By using a coarse-grained analysis, we examine phase separation kinetics in each spatial grid and indeed observe important effects of initial heterogeneity on the subsequent evolution. Interestingly, we observe slower separation kinetics for those regions that correspond to the composition at the minimum of the high-temperature surface. The heterogeneous dynamics has been captured here through the non-linear susceptibility function, which shows a pattern similar to what is observed in the supercooled liquid. Each grid shows somewhat different dynamics in the three-stage (exponential, power-law, and logarithmic regime) phase separation dynamics. The late stage of phase separation kinetics is usually attributed to the coarsening of the phase-separated domains. However, in a liquid binary mixture, the late-stage power-law decay undergoes a further change. A new dynamical regime arises characterized by a logarithmic time dependence, which is due to the “smoothening” of the rough interface of already well-separated phases. This can also be described as opposite to the roughening transition described by Chui and Weeks [Phys. Rev. Lett. 40, 733 (1978)]. This reverse roughening transition can explain the logarithmic time dependence observed in the simulation.     

Channel confined active nematics

Active nematics is a popular model fluid for active matter. The popularity comes from the fact that several biological systems involving cells and cytoskeletal elements closely match active nematic fluid. Moreover, the theory of active nematics is amenable for analytical and computational developments. This review discusses different flow states and flow transitions exhibited by channel confined active nematics. The discussions based on experimental and theoretical investigations reveal the role of inherent hydrodynamic instabilities, the unique fluid properties, and the bounding geometry in dictating the behavior of active nematic fluids in channel confinements. The discussions also highlight the current and outstanding research questions in the field.     

Numerical and experimental investigation of turbulent characteristics in a drag-reducing flow with surfactant additives

Cetyltrimethyl ammonium chloride (CTAC) surfactant additives, because of their long-life characteristics, can be used as promising drag-reducers in district heating and cooling systems. In the present study we performed both numerical and experimental tests for a 75 ppm CTAC surfactant drag-reducing channel flow. A two-component PIV system was used to measure the instantaneous streamwise and wall-normal velocity components. A Giesekus constitutive equation was adopted to model the extra stress due to the surfactant additives, with the constitutive parameters being determined by well-fitting apparent shear viscosities, as measured by an Advanced Rheometric Expansion System (ARES) rheometer. In the numerical study, we connected the realistic rheological properties with the drag-reduction rate. This is different from previous numerical studies in which the model parameters were set artificially. By performing consistent comparisons between numerical and experimental results, we have obtained an insight into the mechanism of the additive-induced drag-reduction phenomena.

Our simulation showed that the addition of surfactant additives introduces several changes in turbulent flow characteristics: (1) In the viscous sublayer, the mean velocity gradient becomes gentler due to the viscoelastic forces introduced by the additives. The buffer layer becomes expanded and the slope of the velocity profile in the logarithmic layer increases. (2) The locations where the streamwise velocity fluctuation and Reynolds shear stress attain their maximum value shifted from the wall region to the bulk flow region. (3) The root-mean-square velocity fluctuations in the wall-normal direction decrease for the drag-reducing flow. (4) The Reynolds shear stress decreases dramatically and the deficit of the Reynolds shear stress is mainly compensated by the viscoelastic shear stress. (5) The turbulent production becomes much smaller and its peak-value position moves toward the bulk flow region. All of these findings agree qualitatively with experimental measurements.

Regarding flow visualization, the violent streamwise vortices in the near wall region become dramatically suppressed, indicating that the additives weaken the ejection and sweeping motion, and thereby inhibit the generation of turbulence. The reduction in turbulence is accomplished by additive-introduced viscoelastic stress. Surfactant additives have dual effects on frictional drag: (1) introduce viscoelastic shear stress, which increases frictional drag; and (2) dampen the turbulent vortical structures, decrease the turbulent shear stress, and then decrease the frictional drag. Since the second effect is greater than the first one, drag-reduction occurs.     

Non-orthogonal micro-free flow electrophoresis: From theory to design concept

Micro-free flow electrophoresis (μFFE) is a technique that facilitates continuous separation of molecules in a shallow channel with a hydrodynamic flow and an electric field at an angle to the flow. We recently developed a general theory of μFFE that suggested that an electric field non-orthogonal to the flow could improve resolution. Here, we used computer modeling to study resolution as a function of the electric field strength and the angle between the electric field and the hydrodynamic flow. In addition we used our general theory of μFFE to investigate other important influences on resolution, which include the velocity of the hydrodynamic flow, the height of the separation channel, and the magnitude and direction of the electroosmotic flow. Finally, we propose four designs that could be used to generate non-orthogonal electric fields and discuss their relative merits.     

Ultrasonic particle size fractionation in a moving air stream

Identification of bio-aerosol particles may be enhanced by size sorting before applying analytical techniques. In this paper, the use of ultrasonic acoustic radiation pressure to continuously size fractionate particles in a moving air stream is described. Separate particle-laden and clean air streams are introduced into a channel and merged under laminar flow conditions. An ultrasonic transducer, mounted flush to one wall of the channel, excites a standing ultrasonic wave perpendicular to the flow of the combined air stream. Acoustic radiation forces on the particles cause them to move transverse to the flow direction. Since the radiation force is dependent upon the particle size, larger particles move a greater transverse distance as they pass through the standing wave. The outlet flow is then separated into streams, each containing a range of particle sizes. Experiments were performed with air streams containing glass microspheres with a size distribution from 2-22 μm, using a centerline air stream velocity of approximately 20 cm/s. An electrostatic transducer operating at a nominal frequency of 50 kHz was used to drive an ultrasonic standing wave of 150 dB in pressure amplitude. The microsphere size distributions measured at the outlet were compared with the predictions of a theoretical model. Experiments and theory show reasonable correspondence. The theoretical model also indicates an optimal partitioning of the particle-laden and clean air inlet streams.     

On (d,1)-total numbers of graphs

A (d,1)-total labelling of a graph G assigns integers to the vertices and edges of G such that adjacent vertices receive distinct labels, adjacent edges receive distinct labels, and a vertex and its incident edges receive labels that differ in absolute value by at least d. The span of a (d,1)-total labelling is the maximum difference between two labels. The (d,1)-total number, denoted , is defined to be the least span among all (d,1)-total labellings of G. We prove new upper bounds for , compute some for complete bipartite graphs K_m,n, and completely determine all for d=1,2,3. We also propose a conjecture on an upper bound for in terms of the chromatic number and the chromatic index of G.     

Two novel 3-D bismuth oxalates with organic amines protruding in channels

Two novel 3-D oxalate-containing bismuth compounds of formula (C₃N₂H₅)₂ [Bi₂(C₂O₄)₄(H₂O)₂]·2H₂O 1 and [NH(C₂H₅)₃][Bi₃(C₂O₄)₅] 2 were obtained by hydrothermal synthesis and characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic P2/n space group with , , , β=97.280(3)°, Z=4, R₁=0.0340 and wR₂=0.0766 for unique 4734 reflections I>2σ(I). Compound 2 belongs to the orthorhombic Pbcn space group with , , , Z=4, R₁=0.0222 and wR₂=0.0568 for unique 2472 reflections I>2σ(I). The Bi^III centers have nine-fold coordination for 1 and eight-fold for 2 with the Bi atoms in distorted monocapped square antiprism and distorted dodecahedron, respectively. And oxalate ligands adopt different coordination modes: bidentate for 1, bidentate and tricoordinate for 2. Compounds 1 and 2 are both 3-D open-framework structures containing channels with guest molecules. These two compounds exhibit intense blue luminescence with the emission peaks at 419 nm for 1 and 442 nm for 2, respectively, in the solid state at room temperature. These compounds with novel structural frameworks could be useful in the field of photoactive materials.