Synthesis and crystal structure of [Re2Cl2(CO)6(S e)]

The dinuclear complex [Re₂Cl₂(CO)₆S e] has been prepared and characterized in the solid state by X-ray crystallography. Proton NMR spectroscopy has shown the structure to be stereochemically rigid in solution.     

Flow past a cylinder: shear layer instability and drag crisis

Flow past a circular cylinder for Re=100 to 10⁷ is studied numerically by solving the unsteady incompressible two‐dimensional Navier–Stokes equations via a stabilized finite element formulation. It is well known that beyond Re ～ 200 the flow develops significant three‐dimensional features. Therefore, two‐dimensional computations are expected to fall well short of predicting the flow accurately at high Re. It is fairly well accepted that the shear layer instability is primarily a two‐dimensional phenomenon. The frequency of the shear layer vortices, from the present computations, agree quite well with the Re^0.67 variation observed by other researchers from experimental measurements. The main objective of this paper is to investigate a possible relationship between the drag crisis (sudden loss of drag at Re ～ 2 × 10⁵) and the instability of the separated shear layer. As Re is increased the transition point of shear layer, beyond which it is unstable, moves upstream. At the critical Reynolds number the transition point is located very close to the point of flow separation. As a result, the shear layer eddies cause mixing of the flow in the boundary layer. This energizes the boundary layer and leads to its reattachment. The delay in flow separation is associated with narrowing of wake, increase in Reynolds shear stress near the shoulder of the cylinder and a significant reduction in the drag and base suction coefficients. The spatial and temporal power spectra for the kinetic energy of the Re=10⁶ flow are computed. As in two‐dimensional isotropic turbulence, E(k) varies as k^?5/3 for wavenumbers higher than energy injection scale and as k^?3 for lower wavenumbers. The present computations suggest that the shear layer vortices play a major role in the transition of boundary layer from laminar to turbulent state. Copyright © 2004 John Wiley & Sons, Ltd.     

Pareto optimal solutions of a cost–time trade-off bulk transportation problem

A cost–time trade-off bulk transportation problem with the objectives to minimize the total cost and duration of bulk transportation without according priorities to them is considered. The entire requirement of each destination is to be met from one source only; however a source can supply to any number of destinations subject to the availability of the commodity at it. Two new algorithms are provided to obtain the set of Pareto optimal solutions of this problem. This work extends and generalizes the work related to single-objective and prioritized two-objective bulk transportation problems done in the past while providing flexibility in decision making.     

Sedimentation analysis of organic–inorganic hybrid colloids

Hybrid organic–inorganic latex particles are synthesized to combine the beneficial properties of the constituents which thus lead to synergistic improvement in the properties. The properties of hybrid particles are dependent on the successful hybridization process, thus controlling or tuning of such processes by effective characterization is immensely important. Analytical ultracentrifugation provides these characterization possibilities owing to its high statistical capability and ability to characterize multiple parameters. The use of different detection methodologies can help in generating valuable information on the overall size and density distributions of the particles. Apart from that, it is also possible to quantify the presence of any free polymer and inorganic particles in the hybrid latex which would affect the properties of hybrid latexes. By following the densities of the pure and hybrid particles, it is also possible to quantify the amounts of the constituent phases in the hybrid particles. The density gradients generated in preparative ultracentrifugation also provide additional possibilities for the characterization of the hybrid particles which have densities higher than the measurable range in the analytical ultracentrifuge. Evolution of hybrid particles can also be studied as a function of time. It also provides advantage of separation of the various fractions for further characterization.     

An efficient data format for mass spectrometry-based proteomics

The diverse range of mass spectrometry (MS) instrumentation along with corresponding proprietary and nonproprietary data formats has generated a proteomics community driven call for a standardized format to facilitate management, processing, storing, visualization, and exchange of both experimental and processed data. To date, significant efforts have been extended towards standardizing XML-based formats for mass spectrometry data representation, despite the recognized inefficiencies associated with storing large numeric datasets in XML. The proteomics community has periodically entertained alternate strategies for data exchange, e.g., using a common application programming interface or a database-derived format. However, these efforts have yet to gain significant attention, mostly because they have not demonstrated significant performance benefits over existing standards, but also due to issues such as extensibility to multidimensional separation systems, robustness of operation, and incomplete or mismatched vocabulary. Here, we describe a format based on standard database principles that offers multiple benefits over existing formats in terms of storage size, ease of processing, data retrieval times, and extensibility to accommodate multidimensional separation systems.     

Preparation and characterization of hydroxypropyl-β-cyclodextrin inclusion complex of eugenol: differential pulse voltammetry and (1)H-NMR

The objective of present investigation was to improve the solubility of Eugenol by preparing the inclusion complex of Eugenol with hydroxypropyl-β-cyclodextrin (Hp-β-CD) and characterize the prepared complex by using NMR and differential pulse voltammetry (DPV). Phase solubility curve was plotted using Hp-β-CD in ranging from 0-40 mM of Hp-β-CD and found to be linear. Therefore, inclusion complex was prepared in equimolar ratio of Eugenol and Hp-β-CD by lyophilization method. Fourier transform infrared spectroscopy (FT-IR), (1)H-NMR and DPV were performed for Eugenol, Hp-β-CD and prepared inclusion complex of Eugenol. 2D (two dimensional) NMR was also performed for prepared inclusion complex. The proton of phenol moiety of Eugenol experienced a pronounced chemical shift variation in (1)H-NMR. The positive sign of the variation for proton in (1)H-NMR indicated that the proton was located near to an oxygen atom in the Hp-β-CD cavity and its magnitude showed a strong interaction between -OH proton of Eugenol and Hp-β-CD. 2D NMR confirms the interaction between phenolic group and hydrogen atoms of Hp-β-CD. A well defined anodic peak current corresponding to oxidation of Eugenol in non-encapsulated and Hp-β-CD-Eugenol inclusion complex in phosphate buffer (pH 6.8) was obtained at about 0.35 V and 0.40 V, respectively. The positive shift in oxidation potential indicated the formation of complex via hydrophobic interactions. The oxidant power of Eugenol was retained in complex form as indicated by DPV results. Thus, its oxidation dependent pharmacological property such as antimicrobial activity is not affected after complexation with Hp-β-CD. Thus, (1)H-NMR, 2D-NMR and DPV techniques can be used as valuable tools to determine the mechanism of complexation and state of electrochemical active drug in inclusion complex.     

A High-Order Immersed Boundary Method for Acoustic Wave Scattering and Low-Mach Number Flow-Induced Sound in Complex Geometries

A new sharp-interface immersed boundary method based approach for the computation of low-Mach number flow-induced sound around complex geometries is described. The underlying approach is based on a hydrodynamic/acoustic splitting technique where the incompressible flow is first computed using a second-order accurate immersed boundary solver. This is followed by the computation of sound using the linearized perturbed compressible equations (LPCE). The primary contribution of the current work is the development of a versatile, high-order accurate immersed boundary method for solving the LPCE in complex domains. This new method applies the boundary condition on the immersed boundary to a high-order by combining the ghost-cell approach with a weighted least-squares error method based on a high-order approximating polynomial. The method is validated for canonical acoustic wave scattering and flow-induced noise problems. Applications of this technique to relatively complex cases of practical interest are also presented.     

On simplifying ‘incremental remap’–based transport schemes

The flux-form incremental remapping transport scheme introduced by Dukowicz and Baumgardner [1] converts the transport problem into a remapping problem. This involves identifying overlap areas between quadrilateral flux-areas and regular square grid cells which is non-trivial and leads to some algorithm complexity. In the simpler swept area approach (originally introduced by Hirt et al. [2]) the search for overlap areas is eliminated even if the flux-areas overlap several regular grid cells. The resulting simplified scheme leads to a much simpler and robust algorithm.     

Fuel spray visualization and its impingement analysis on in-cylinder surfaces in a direct-injection spark-ignition engine

Abstract  

Experiments are performed to investigate the effects of fuel spray on in-cylinder mixture preparation and its impingement on cylinder walls and piston top inside a direct-injection spark-ignition engine with optical access to the cylinder. Novel image processing algorithms are developed to analyze the fuel impingement quantitatively on in-cylinder surfaces. The technique is useful to optimize the fuel pressure, injection timing and the number of injections to minimize the fuel impingement on in-cylinder surfaces. E85, which represents a blend of 85% ethanol and 15% gasoline (by volume) is used in this study. Two types of fuel injectors are used; (i) low-pressure production-intent injector with fuel pressure of 3 MPa, and (ii) high-pressure production injector with fuel pressures of 5 and 10 MPa. In addition, the effects of split injection are also presented by maintaining the same amount of fuel used in single injection. It is found that the split injection is an effective way to reduce the overall fuel impingement on in-cylinder surfaces while maintaining a reasonably good air–fuel mixture in the cylinder.