Coupled solution of the species conservation equations using unstructured finite‐volume method

A coupled solver was developed to solve the species conservation equations on an unstructured mesh with implicit spatial as well as species‐to‐species coupling. First, the computational domain was decomposed into sub‐domains comprised of geometrically contiguous cells—a process similar to additive Schwarz decomposition. This was done using the binary spatial partitioning algorithm. Following this step, for each sub‐domain, the discretized equations were developed using the finite‐volume method, and solved using an iterative solver based on Krylov sub‐space iterations, that is, the pre‐conditioned generalized minimum residual solver. Overall (outer) iterations were then performed to treat explicitness at sub‐domain interfaces and nonlinearities in the governing equations. The solver is demonstrated for both two‐dimensional and three‐dimensional geometries for laminar methane–air flame calculations with 6 species and 2 reaction steps, and for catalytic methane–air combustion with 19 species and 24 reaction steps. It was found that the best performance is manifested for sub‐domain size of 2000 cells or more, the exact number depending on the problem at hand. The overall gain in computational efficiency was found to be a factor of 2–5 over the block (coupled) Gauss–Seidel procedure. All calculations were performed on a single processor machine. The largest calculations were performed for about 355 000 cells (4.6 million unknowns) and required 900 MB of peak runtime memory and 19 h of CPU on a single processor. Copyright © 2009 John Wiley & Sons, Ltd.     

Wireless PWM control of a parallel DC-DC buck converter

We demonstrate a new concept for wireless pulse-width modulation (PWM) control of a parallel dc-dc buck converter. It eliminates the need for multiple physical connections of gating/PWM signals among the distributed converter modules. The new scheme relies on radio-frequency (RF) based communication of the PWM control signals from a master to the slave modules. We analyze the system stability and demonstrate the experimental effectiveness of the wireless control scheme for a two-module parallel buck converter for 10-kHz and 20-kHz switching frequencies and for channel lengths of 1.5 and 15ft, respectively. The proposed control concept may lead to easier distributed control implementation of parallel dc-dc converters and distributed power systems, and may lead to redundancy that is achievable using droop method. It may also be used as a backup for wire-based control of parallel converters to provide fault tolerance.     

DV/DT related spurious gate turn-on of bidirectional switches in a high-frequency cycloconverter

We identified a failure mode in a two stage dc/ac converter, comprising a high-frequency dc/ac inverter followed by an ac/ac cycloconverter, both operating at the same switching frequency. The failure-mode is a short-circuit condition, which is a combined effect of the reverse recovery of the MOSFET body diode and simultaneous spurious turn-on of the bidirectional switches of the cycloconverter, owing to a significantly high dv/dt (>2/spl times/10/sup 8/V/ns). A high dv/dt causes appreciable current to flow through the gate-to-drain (Miller) capacitance, thereby producing a significant amount of voltage drop across the external gate resistance. Consequently, the gate-to-source voltage of the power MOSFET may exceed the threshold voltage of the device, which turns the device on. We explain the mechanism for the dv/dt-related gate turn-on and present experimental results to validate the explanation. We also demonstrate, how a two-fold increase in the value of external gate resistance of the inverter switches (to reduce the dv/dt applied to the cycloconverter) reduces the periodicity of the short-circuit condition.     

Fabrication of microfluidic mixers and artificial vasculatures using a high-brightness diode-pumped Nd:YAG laser direct write method

This paper describes a direct write laser technology, which is fast and flexible, for fabricating multiple-level microfluidic channels. A high brightness diode-pumped Nd-YAG laser with slab geometry was used for its excellent beam quality. Channels with flat walls and staggered herringbone ridges on the floor have been successfully fabricated and their ability to perform passive mixing of liquid is discussed. Also, a multi-width multi-depth microchannel has been fabricated to generate biomimetic vasculatures whose channel diameters change according to Murray's law, which states that the cube of the radius of a parent vessel equals the sum of the cubes of the radii of the daughters. The multi-depth architecture allows for flow patterns to resemble physiological vascular systems with lower overall resistance and more uniform flow velocities throughout the network compared to planar patterning techniques which generate uniformly thin channels. The ability to directly fabricate multiple level structures using relatively straightforward laser technology enhances our ability to rapidly prototype complex lab-on-a-chip systems and to develop physiological microfluidic structures for tissue engineering and investigations in biomedical fluidics problems.     

Effect of porosity and pore morphology on the low-frequency dielectric response in sintered ZrO<Subscript>2</Subscript>—8 mol% Y<Subscript>2</Subscript>O<Subscript>3</Subscript> ceramic compact

Effect of porosity and pore size distribution on the low-frequency dielectric response, in the range 0.01–100 kHz, in sintered ZrO₂—8 mol% Y₂O₃ ceramic compacts have been investigated. Small-angle neutron scattering (SANS) technique has been employed to obtain the pore characteristics like pore size distribution, specific surface area etc. It has been observed that the real and the imaginary parts of the complex dielectric permittivity, for the specimens, depend not only on the porosity but also on the pore size distribution and pore morphology significantly. Unlike normal Debye relaxation process, where the loss tangent vis-à-vis the imaginary part of the dielectric constant shows a pronounced peak, in the present case the same increases at lower frequency region and an anomalous non-Debye type relaxation process manifests.     

Synthesis, anticancer and antibacterial activity of some novel mononuclear Ru(II) complexes

In search of potential anticancer drug candidates in ruthenium complexes, a series of mononuclear ruthenium complexes of the type [Ru(phen)(2)(nmit)]Cl(2) (Ru1), [Ru(bpy)(2)(nmit)]Cl(2) (Ru2), [Ru(phen)(2)(icpl)]Cl(2) (Ru3), Ru(bpy)(2)(icpl)]Cl(2) (Ru4) (phen=1,10-phenanthroline; bpy=2,2'-bipyridine; nmit=N-methyl-isatin-3-thiosemicarbazone, icpl=isatin-3-(4-Cl-phenyl)thiosemicarbazone) and [Ru(phen)(2)(aze)]Cl(2) (Ru5), [Ru(bpy)(2)(aze)]Cl(2) (Ru6) (aze=acetazolamide) and [Ru(phen)(2)(R-tsc)](ClO(4))(2) (R=methyl (Ru7), ethyl (Ru8), cyclohexyl (Ru9), 4-Cl-phenyl (10), 4-Br-phenyl (Ru11), and 4-EtO-phenyl (Ru12), tsc=thiosemicarbazone) were prepared and characterized by elemental analysis, FTIR, (1)H-NMR and FAB-MS. Effect of these complexes on the growth of a transplantable murine tumor cell line (Ehrlich Ascites Carcinoma) and their antibacterial activity were studied. In cancer study the effect of hematological profile of the tumor hosts have also been studied. In the cancer study, the complexes Ru1-Ru4, Ru10 and Ru11 have remarkably decreased the tumor volume and viable ascitic cell count as indicated by trypan blue dye exclusion test (p<0.05). Treatment with the ruthenium complexes prolonged the lifespan of Ehrlich Ascites Carcinoma (EAC) bearing mice. Tumor inhibition by the ruthenium chelates was followed by improvements in hemoglobin, RBC and WBC values. All the complexes showed antibacterial activity, except Ru5 and Ru6. Thus, the results suggest that these ruthenium complexes have significant antitumor property and antibacterial activity. The results also reflect that the drug does not adversely affect the hematological profiles as compared to that of cisplatin on the host.     

Synthesis of the Upstream Terminal Disaccharide of the O-Antigenic Polysaccharide of Vibrio cholerae O37

The terminal disaccharide of the O-antigenic polysaccharide of Vibrio cholerae O37, 4-O-methyl-α-D-QuiNAc-(1→4)-α-d-QuiNAc, was synthesized as methyl glycoside involving glycosylation between glycosyl donor ethyl 2-azido-3-O-benzyl-2,6-dideoxy-4-O-methyl-6-iodo-1-thio-α-d-glucopyranoside and glycosyl acceptor methyl 2-azido-3-O-benzyl-2,6-dideoxy-6-iodo-α-d-glucopyranoside. Dehalogenation, global deprotection, and reduction of the azide to amine were effected in one step by catalytic hydrogenation. It was followed by selective N-acetylation to give the desired deprotected disaccharide.     

Interacting three fluid system and thermodynamics of the universe bounded by the event horizon

The work deals with the thermodynamics of the universe bounded by the event horizon. The matter in the universe has three constituents namely dark energy, dark matter and radiation in nature and interaction between then is assumed. The variation of entropy of the surface of the horizon is obtained from unified first law while matter entropy variation is calculated from the Gibbss’ law. Finally, validity of the generalized second law of thermodynamics is examined and conclusions are written point wise.     

Multi-component catalysts with spinel structure for the selective reduction of nitrogen oxide by ethylene in lean-exhaust gas streams

The Ga₂O₃-Al₂O₃-ZnO (GAZ) multi-component spinel powders with incorporated Cu²⁺, Co²⁺, Fe²⁺, Ni²⁺, Mn²⁺ and In²⁺ metal cations were synthesized by co-precipitation method from a mixed solution of nitrate salts. Spinel crystal structure of each composition was confirmed by XRD measurements. The multi-component oxide powders were tested in the reduction of nitrogen oxide (NO) under lean conditions. Among the catalysts tested, In₂O₃-containing GAZ with a pure spinel phase structure showed promising catalytic activity in the NO reduction in the presence of 10% H₂O vapor. In addition, the effect of H₂O vapor and SO₂ on the selective reduction of NO over In₂O₃-GAZ/cordierite and In₂O₃-GAZ/metal honeycombs catalysts has been investigated.     

Solvent dielectric delimited nitro–nitrito photorearrangement in a perylenediimide derivative

The discovery of vibrant excited-state dynamics and distinctive photochemistry has established nitrated polycyclic aromatic hydrocarbons as an exhilarating class of organic compounds. Herein, we report the atypical photorearrangement of nitro-perylenediimide (NO₂-PDI) to nitrito-perylenediimide (ONO-PDI), triggered by visible-light excitation and giving rise to linkage isomers in the polar aprotic solvent acetonitrile. ONO-PDI has been isolated and unambiguously characterized using standard spectroscopic, spectrometric, and elemental composition techniques. Although nitritoaromatic compounds are conventionally considered to be crucial intermediates in the photodissociation of nitroaromatics, experimental evidence for this has not been observed heretofore. Ultrafast transient absorption spectroscopy combined with computational investigations revealed the prominence of a conformationally relaxed singlet excited-state (S^CR₁) of NO₂-PDI in the photoisomerization pathway. Theoretical transition state (TS) analysis indicated the presence of a six-membered cyclic TS, which is pivotal in connecting the S^CR₁ state to the photoproduct state. This article addresses prevailing knowledge gaps in the field of organic linkage isomers and provides a comprehensive understanding of the unprecedented photoisomerization mechanism operating in the case of NO₂-PDI.

The unprecedented photorearrangement of nitro-perylenediimide (NO₂-PDI) to nitrito-perylenediimide (ONO-PDI) is shown to occur through a cyclic six-membered transition state triggered by visible-light excitation.