An efficient curvilinear non‐hydrostatic model for simulating surface water waves

An efficient curvilinear non‐hydrostatic free surface model is developed to simulate surface water waves in horizontally curved boundaries. The generalized curvilinear governing equations are solved by a fractional step method on a rectangular transformed domain. Of importance is to employ a higher order (either quadratic or cubic spline function) integral method for the top‐layer non‐hydrostatic pressure under a staggered grid framework. Model accuracy and efficiency, in terms of required vertical layers, are critically examined on a linear progressive wave case. The model is then applied to simulate waves propagating in a canal with variable widths, cnoidal wave runup around a circular cylinder, and three‐dimensional wave transformation in a circular channel. Overall the results show that the curvilinear non‐hydrostatic model using a few, e.g. 2–4, vertical layers is capable of simulating wave dispersion, diffraction, and reflection due to curved sidewalls. Copyright © 2010 John Wiley & Sons, Ltd.     

Analysis of a queueing system with a general service scheduling function,with applications to telecommunication network traffic control

In this paper we analyze a queueing system with a general service scheduling function. There are two types of customer with different service requirements. The service order for customers of each type is determined by the service scheduling function α_k(i, j) where α_k(i, j) is the probability for type-k customer to be selected when there are i type-1 and j type-2 customers. This model is motivated by traffic control to support traffic streams with different traffic characteristics in telecommunication networks (in particular, ATM networks). By using the embedded Markov chain and supplementary variable methods, we obtain the queue-length distribution as well as the loss probability and the mean waiting time for each type of customer. We also apply our model to traffic control to support diverse traffics in telecommunication networks. Finally, the performance measures of the existing diverse scheduling policies are compared. We expect to help the system designers select appropriate scheduling policy for their systems.     

Use of particle image velocimetry to study heterogeneous drag reduction

Large polymer filaments can form when drag reducing polymers are injected through wall slots. The presence of these structures enhances the performance of the drag reducing function by mechanisms which are not understood. This paper shows how particle image velocimetry (PIV) techniques can be used to study changes in the configuration of the injected polymer and in the structure of the velocity field with increasing drag reduction. The filaments are found to behave as solid bodies which break up in high shear regions close to a boundary. The breakup process provides an explanation of why the filaments are not observed close to a wall and offers the possibility of providing a heterogeneous distribution of small aggregates of polymers which could be more effective than uniformly distributed molecules as suggested by Hoyer and Gyr (J Non-Newton Fluid Mech 65:221–240, 1996; J Fluids Eng 120:818–823, 1998), Dunlop and Cox (Phys Fluids 20:203–213, 1977) and Vlachogiannis et al. (Phys Fluid 15:3786–3794, 2004). PIV measurements show dramatic qualitative changes in the velocity patterns at maximum drag reduction.     

The origin of the ligand-controlled regioselectivity in Rh-catalyzed [(2 + 2) + 2] carbocyclizations: steric vs. stereoelectronic effects

Density functional theory calculations demonstrate that the reversal of regiochemical outcome of the addition for substituted methyl propiolates in the rhodium-catalyzed [(2 + 2) + 2] carbocyclization with PPh₃ and (S)-xyl-binap as ligands is both electronically and sterically controlled. For example, the ester functionality polarizes the alkyne π* orbital to favor overlap of the methyl-substituted terminus of the alkyne with the p_π-orbital of the alkenyl fragment of the rhodacycle during alkyne insertion with PPh₃ as the ligand. In contrast, the sterically demanding xyl-binap ligand cannot accommodate the analogous alkyne orientation, thereby forcing insertion to occur at the sterically preferred ester terminus, overriding the electronically preferred orientation for alkyne insertion.     

Tetrazolo[1,5‐a]quinoline‐4‐carbaldehyde and its Schiff base on mild steel as corrosion inhibitor in 1 M HCl solution: electrochemistry,theoretical and SEM surface analysis

The corrosion inhibition impact of two quinoline derivatives, viz tetrazolo [1,5‐a] quinoline‐4‐carbaldehyde ( TQC ) and (Z) ?5‐methyl‐N‐(tetrazolo [1,5‐a] quinolin‐4‐ylmethylene) thiazol‐2‐amine ( MTQT ), has been examined against mild steel in 1 M HCl solution using conventional weight loss, potentiodynamic polarization, linear polarization, electrochemical impedance spectroscopy, quantum chemical, and scanning electron microscopic studies. The experimental results have showed that TQC and MTQT revealed a good corrosion inhibition and that the inhibition efficiency increases with the increase of concentration of inhibitor to attain 94.54% for TQC and 99.25% for MTQT at 25 ppm. Polarization measurements suggest that TQC and MTQT act as a mixed‐type inhibitor. A synergism between inhibitors can be observed by polarization measurements. Electrochemical impedance spectroscopy measurements show an increase of the transfer resistance with the inhibitor concentration. Adsorption of TQC and MTQT on the mild steel surfaces in 1 N HCl solution follows the Langmuir adsorption isotherm model. Furthermore, quantum chemical calculations have been conducted using B3LYP functional and 6‐31G(d,p) basis set to complement the experimental evidences. Copyright © 2015 John Wiley & Sons, Ltd.     

Ratiometric and simultaneous estimation of Fe and Cu ions: 1,3,5-substituted triethylbenzene derivatives coupled with benzimidazole

We synthesized a novel 1,3,5-substituted triethylbenzene derivative with a benzimidazole moiety as a binding and signalling subunit. The triethylbenzene platform was judiciously incorporated into the receptor design such that all the fluorophores are in close proximity to each other in order to facilitate stacking. The advantage of this approach lies in the fact that the receptor will offer a dual channel emission for the multiple ratiometric determination of metal ions. The sensor was tested in a CH₃CN/H₂O (7:3, v/v, pH 7.1) HEPES buffered solution and successfully developed for the ratiometric and simultaneous estimation of Fe³⁺ and Cu²⁺ ions in aqueous samples.     

Fine tuning of a solvatochromic fluorophore for selective determination of Fe: a new type of benzimidazole-based anthracene-coupled receptor

We synthesized a novel benzimidazole-based, anthracene-coupled fluorescent receptor capable of recognizing and estimating the concentrations of Fe³⁺ in semi-aqueous solution by ratiometric estimation. Our sensor can be made highly selective for Fe³⁺ over other metal ions by changing the solvent composition.