Full wave electromagnetics for simulating high speed quantum well laser diode modulation

A unique discretization scheme that couples Maxwell’s full wave vector field equations self-consistently with nonlinear charge and energy transport is presented. The scheme is used to simulate laser modulation achieved in a simple electrically pumped quantum well laser diode by dynamically heating the degenerate quantum charge gases with high frequency radiation.     

Bounds on some van der Waerden numbers

For positive integers s and k₁,k₂,…,ks, the van der Waerden number w(k₁,k₂,…,ks;s) is the minimum integer n such that for every s-coloring of set {1,2,…,n}, with colors 1,2,…,s, there is a ki-term arithmetic progression of color i for some i. We give an asymptotic lower bound for w(k,m;2) for fixed m. We include a table of values of w(k,3;2) that are very close to this lower bound for m=3. We also give a lower bound for w(k,k,…,k;s) that slightly improves previously-known bounds. Upper bounds for w(k,4;2) and w(4,4,…,4;s) are also provided.     

Determination of organometallic compounds in surface water and sediment samples with SPME-CGC-ICPMS

Organometal compounds of tin, mercury and lead were simultaneously determined in environmental water and sediment samples by CGC-ICPMS. Instead of classical liquid/liquid extractions, solid phase microextraction was used as sampling technique. In this method, the organometallic compounds arein situ derivatised in the aqueous phase and simultaneously extracted onto a polydimethylsiloxane fiber, so that organic solvents are no longer necessary. The sorbed organometals are subsequently released from the fiber in the GC injection liner by thermal desorption. By sampling from the headspace, only the species of interest are sampled and no interfering matrix components are coextracted. With this new method, derivatisation, extraction, preconcentration and injection into the GC takes only 10 min with a minimum of handling steps. Owing to the very low detection limits (0.13–3.7 ng/1 as metal) only small sample amounts (25 ml of water, 0.5 g of sediment) are needed for one analysis. Finally, SPME is an inexpensive sampling technique that can be used with standard split/splitless injection systems.     

Weighted averaged equations for modeling velocity profiles of 1D steady open channel flows

A new mathematical algorithm is proposed to address the essential details of vertical distributions of horizontal velocity for one‐dimensional steady open‐channel flow. This new algorithm comprises a system of weighted averaged equations developed from corresponding Reynolds equations by performing weighted average operations instead of conventional depth average operations. It is the system of weighted averaged equations, instead of the vertical grids, that allows for more hydraulic coefficients identifiable. It can be thought of as an extension of the St. Venant equations to address the vertical distributions of horizontal velocities, as well as the water surface profiles. To avoid the difficult expansion of governing partial differential equations in high order, an indirect scheme is proposed to solve hydraulic variables through their weighted average values. The governing partial differential equations are generated by using a variety of weight functions, and the weighted averages of relevant hydraulic variables are taken as the unknown independent variables to be solved first. Then, on the basis of the values and polynomial expansions of these weighted averaged velocities, a system of linear algebraic equations is generated and the unknown hydraulic variables or their coefficients are easily solved. Note that the new model is not proposed to compete with any three‐dimensional models in modeling accuracy or accommodation ability to all conditions. It just provides a valuable option to study the vertical structure of flow in open channels where only essential detail and reasonable accuracy of vertical distributions are required, and the data availability and other conditions limit the application of fully three‐dimensional models. The performance of the model is evaluated with experimental data of flows in two different flumes. It is shown that the model well predicted the velocity profiles of sections along the centerlines of these flumes with reasonable accuracy and essential details of vertical distributions of horizontal velocity. Copyright © 2013 John Wiley & Sons, Ltd.     

The synthesis and characterisation of an expansive additive for M-type cements

The expansion effect of laboratory-prepared expansive additives for M-type expansive cement was investigated at the early stage of hydration by the multicell isoperibolic calorimeter and volumetric technique based on Archimedes’ principle. The relative volume changes and heat released during hydration are strongly affected by the content of lime in the expansive additive due to the influence of CaO on the kinetics and mechanism of formation of ettringite. The increasing content of lime favours the formation of monosulphate and its later transformation to ettringite generating expansion stress. The effect of expansive additive on the behaviour of mortar samples was measured as linear elongation of test blocks using Graf-Kaufman dilatometer. Lower or higher content of lime in expansion additive slightly decreases the 7th-day compressive and flexural strength of samples while this effect is negligible for expansive additive with nominal composition of ettringite.     

Highly diastereo- and enantioselective catalytic synthesis of the bis-tetrahydrofuran alcohol of Brecanavir and Darunavir

An efficient highly diastereo- and enantioselective synthesis of the bis-tetrahydrofuran (bis-THF) alcohol of several HIV protease inhibitors, including Brecanavir and Darunavir, has been achieved utilizing an Evans Mukaiyama aldol reaction of (benzyloxy)acetaldehyde and a silyl ketene acetal. The lactone alcohol intermediate from the catalytic aldol reaction was reduced to a lactol. Palladium catalyzed hydrogenolysis removed the benzyl protection and promoted an in situ cyclization to form the epimer of the bis-THF alcohol in a 98:2 diastereomeric ratio and 97:3 enantiomeric ratio. The alcohol epimer was readily converted to the target in two steps by oxidation to a ketone followed by highly selective reduction to the bis-THF alcohol.