A consistent flamelet formulation for a reacting char particle considering curvature effects

In the present work, the combustion of a single char particle in quiescent and convective environments is investigated numerically. Fully resolved CFD calculations are carried out considering heterogeneous reactions at the particle surface and detailed homogeneous reactions in the gas phase. Unity and non-unity Lewis number diffusion modeling approaches are employed and compared to each other. The flame shape of the particle in a quiescent atmosphere shows full symmetry whereas the particle in the convective environment exhibits a stagnation region upstream of the particle and a wake region downstream of the particle. The detailed CFD results are used to analyze the flame structure around the char particle and corresponding flamelet simulations are carried out. For the presently investigated case, curvature effects of mixture fraction, species and temperature are found to be significant in almost all the cases. These curvature effects correspond to diffusion tangential to iso-surfaces of mixture fraction. To describe these processes, new extended flamelet equations are derived. The individual terms in the flamelet equations are analyzed for both the quiescent and the convective environment based on the CFD data and the results confirm the importance of tangential diffusion. Except for the quiescent environment and unity Lewis numbers, curvature cannot be neglected for the investigated char combustion case. For all other cases, significant differences between the standard flamelet model and the detailed CFD results are found. On the other hand, applying the extended flamelet equations yields very good agreement with the CFD results.     

Characterization of spatial inhomogeneities and dynamic properties of random cross-linked polystyrene networks by dynamic light scattering

The network inhomogeneity and the cooperative motion of the network chains of random cross-linked poly(styrene-co-maleic anhydride) gels were investigated by dynamic light scattering. Measurements were performed for gels in the preparation state as well as in the swelling equilibrium. Network inhomogeneities and cooperative motion were analyzed at varying the cross-linker concentration and the polymer volume fraction. While the cross-linker concentration has only a minor influence on the inhomogeneity and the diffusion constant D_coop, the polymer volume fraction clearly influences both measured properties. The concentration dependence of D_coop can be well described by a power law, as known for semi-dilute polymer solutions. In the preparation state the networks appear homogeneous, exhibiting dynamic contributions to the scattering intensity of 70-90%. Swollen to equilibrium stage, significant heterogeneities emerge, reducing the dynamic contributions to 10-20%.     

Aziridide-based inhibitors of cathepsin L: synthesis, inhibition activity, and docking studies

A comprehensive screening of N-acylated aziridine (aziridide) based cysteine protease inhibitors containing either Boc-Leu-Caa (Caa=cyclic amino acid), Boc-Gly-Caa, or Boc-Phe-Ala attached to the aziridine nitrogen atom revealed Boc-(S)-Leu-(S)-Azy-(S,S)-Azi(OBn)(2) (18 a) as a highly potent cathepsin L (CL) inhibitor (K(i)=13 nM) (Azy=aziridine-2-carboxylate, Azi=aziridine-2,3-dicarboxylate). Docking studies, which also accounted for the unusual bonding situations (the flexibility and hybridization of the aziridides) predict that the inhibitor adopts a Y shape and spans across the entire active site cleft, binding into both the nonprimed and primed sites of CL.     

Macro-crack initiation life for orthotropic steel decks considering weld heterogeneity and random traffic loading

This paper presents a multi-scale approach to predict the macro-crack initiation life (MCIL) of welded joints. This fully adaptive multi-scale technique is designed to take into account micro-scale material heterogeneity due to the existence of defects and to consider the uncertainties regarding defect occurrence and characteristics and traffic loading. The procedure of the proposed approach was introduced along with an orthotropic steel deck. Firstly, a homogenisation method was used to link defects in the heat-affected zone with the macro-scale structure. This allows for estimating the effective Paris constant, required for a Paris Law-based fatigue damage analysis. Secondly, a traffic flow, based on weigh-in-motion measurements, was used to simulate the load effects on the examined joint. Afterwards, the extended finite element method was adopted to calculate the stress intensity factors with respect to the weld geometries. Finally, the damage before macro-crack initiation was obtained using the Paris Law. In addition, Monte Carlo simulation was integrated within this multi-scale crack growth procedure to consider the randomness in pore and inclusion occurrence and characteristics. Hence, the MCIL is expressed in the form of a probability distribution. Results show that the proposed approach enables to provide a rational maintenance and inspection intervention time.     

Protective effects of various preservation solutions on cultured endothelial cells

Vascular endothelium represents the first target in organ preservation and plays an important role in reperfusion injury. Bovine aortic endothelial cells were cultivated and the most commonly used preservation solutions, such as University of Wisconsin HTK (Brettschneider's histidine-tryptophane-ketoglutarate), and Euro-Collins solutions were tested on the endothelial monolayer. In addition, one group of cultivated cells was preserved with cold saline solution, and endothelial monolayers grown in culture medium were used as controls. The quality of preservation was assessed after 24, 48, and 72 hours of cold storage. Reperfusion was simulated and its effects were observed by reincubation in culture medium at 37 degrees C for 6 hours. The total number of cells, cell viability (determined using trypan blue exclusion), and morphologic alterations were determined. Prostacyclin release was evaluated as a biochemical marker. University of Wisconsin solution maintains more than 99% cell viability after rewarming after both 24 and 48 hours of cold storage. After 72 hours, 86.7% of cells were still viable. Preservation with HTK and Euro-Collins solution allowed cell survival for only 24 hours (96.7%, HTK; 49.9%, Euro-Collins), with no viable cells seen after 48 hours. The cold saline-preserved sample showed 57.8% viable cells after 24 hours and 29.7% after 48 hours. No viable cells were detectable after 72 hours. Light microscopy revealed several patterns of both structural damage and intracellular change (nucleus and cytoplasm) in the endothelial monolayer after preservation with HTK, Euro-Collins solution, and cold saline solution. No morphologic alterations were seen in the University of Wisconsin solution group for as long as 72 hours.(ABSTRACT TRUNCATED AT 250 WORDS)     

Arrangement of layered double hydroxide in a polyethylene matrix studied by a combination of complementary methods

Organically modified ZnAl Layered Double Hydroxides (ZnAl-LDH) was synthesized and melt blended with polyethylene to obtain nanocomposites. The resulting morphology was investigated by a combination of Differential Scanning Calorimetry (DSC), Small and Wide-angle X-ray scattering (SAXS and WAXS) and dielectric relaxation spectroscopy (DRS). The arrangement (intercalation) of polyethylene chains between LDH stacks was investigated employing SAXS. The homogeneity of the nanocomposites and average number of stack size (4–6 layers) were determined using scanning microfocus SAXS (BESSY II). DSC and WAXS results show that the degree of crystallinity decreases linearly with the increasing content of LDH. The extrapolation of this dependence to zero estimates a limiting concentration of ca. 45% LDH where the crystallization of PE is completely suppressed by the nanofiller. The dielectric spectra of the nanocomposites show several relaxation processes which are discussed in detail. The intensity of the dynamic glass transition (β-relaxation) increases with the concentration of LDH. This is attributed to the increasing concentration of the exchanged anion sodium dodecylbenzene sulfonate (SDBS) which is adsorbed at the LDH layers. Therefore, a detailed analysis of the β-relaxation provides information about the structure and the molecular dynamics in the interfacial region between the LDH layers and the polyethylene matrix which is otherwise dielectrically invisible (low dipole moment).