Numerical study of bubble generation and transport in a serpentine channel with a T-junction

The two-phase flow problem is one of the most critical challenges for direct methanol fuel cells (DMFC). With carbon dioxide generated in the anode catalyst layer, a bubble that could not be removed from the flow channel would hinder the oxidation reaction. In this paper, bubble generation and flow in a micro-serpentine channel is modeled using a multi-phase three-dimensional Navier–Stokes plus volume of fluid (VOF) method. The bubble generation process, which results from the gas–liquid flow and the effects of surface tension and viscosity, are discussed and validated by a comparison with a serious of experimental results. The results prove that the VOF method is an effective method to simulate flow fields where the bubble flow phenomena exist, such as the two-phase flow fields in DMFCs.     

Comparative effect of plasticizer interchange on flexible PVC processing as measured by a torque rheometer

Present testing methods of comparing dryblend and fusion characteristics of poly (vinyl chloride) address resin interchange, but not plasticizer interchange. The wide range of available plasticizers requires methodology to predict plasticizer performance from a processing viewpoint. Modification of the test parameters reported in this study makes it possible to predict how plasticizer interchange affects processing under dynamic conditions.     

Non-linear dynamics of three-dimensional rods: Exact energy and momentum conserving algorithms

The long-term dynamic response of non-linear geometrically exact rods under-going finite extension, shear and bending, accompanied by large overall motions, is addressed in detail. The central objective is the design of unconditionally stable time-stepping algorithms which exactly preserve fundamental constants of the motion such as the total linear momentum, the total angular momentum and, for the Hamiltonian case, the total energy. This objective is accomplished in two steps. First, a class of algorithms is introduced which conserves linear and angular momentum. This result holds independently of the definition of the algorithmic stress resultants. Second, an algorithmic counterpart of the elastic constitutive equations is developed such that the law of conservation of total energy is exactly preserved. Conventional schemes exhibiting no numerical dissipation, symplectic algorithms in particular, are shown to lead to unstable solutions when the high frequencies are not resolved. Compared to conventional schemes there is little, if any, additional computational cost involved in the proposed class of energy–momentum methods. The excellent performance of the new algorithm in comparison to other standard schemes is demonstrated in several numerical simulations.     

An analysis of a new class of integration algorithms for elastoplastic constitutive relations

An accuracy analysis of a new class of integration algorithms for finite deformation elastoplastic constitutive relations recently proposed by the authors, is carried out in this paper. For simplicity, attention is confined to infinitesimal deformations. The integration rules under consideration fall within the category of return mapping algorithms and follow in a straightforward manner from the theory of operator splitting applied to elastoplastic constitutive relations. General rate-independent and rate-dependent behaviour, with plastic hardening or softening, associated or non-associated flow rules and nonlinear elastic response can be efficiently treated within the present framework. Isoerror maps are presented which demonstrate the good accuracy properties of the algorithm even for strain increments much larger than the characteristic strains at yielding.     

Medium effect (transfer activity coefficient) of methanol and acetonitrile on beta-cyclodextrin/benzoate complexation in capillary zone electrophoresis

Association constants, Kc, were derived from the electrophoretic mobilities of the anionic solutes (seven benzoates with hydroxy or chloro substituents) by capillary zone electrophoresis in different solvent systems, consisting of binary mixtures of water with up to 20% (v/v) methanol or acetonitrile, respectively. The association constants expectedly are found to decrease with increasing organic solvent concentration. The effect of organic solvents on the Kc of the benzoates with beta-cyclodextrin was analyzed applying the concept of the transfer activity coefficient (or the medium effect). This concept enables the evaluation of the significance of the contributions of the individual species involved in the complexation equilibrium in the different solvents: the benzoate ion, beta-cyclodextrin, and the anionic benzoate-beta-cyclodextrin complex. The medium effect on benzoate was calculated from the change in acidity constant of benzoic acid in the different mixed solvents and the corresponding transfer activity coefficients of the proton and the molecular acid. The transfer activity coefficients for beta-cyclodextrin results from its solubility at saturation in the different solvents. In this way, an estimation of the standard free energy of transfer, deltaG(t)0, of each species involved in the complexation equilibrium was possible for the transfer from water into the respective mixed solvent. It was found that the organic solvents do not significantly affect deltaG(t)0 for the benzoate anion. However, the organic solvents play a different role concerning the stabilization of beta-cyclodextrin and the complex anion: whereas the addition of acetonitrile has nearly no influence on deltaG(t)0 of the anionic complex, the reduction in Kc is caused by the enhanced stabilization of beta-cyclodextrin (reflected by its better solubility). Addition of methanol, on the other hand, lowers the solubility of beta-cyclodextrin, thus giving positive values for deltaG(t)0. Thus, the overall effect on Kc in methanolic solutions must be related to the pronounced destabilization of the benzoate-beta-cyclodextrin complex.     

Modeling the transport of PCDD/F compounds in a contaminated river and the possible influence of restoration dredging on calculated fluxes

River Kymijoki, the fourth largest river in Finland, has been heavily polluted by pulp mill effluents as well as by chemical industry. Loading has been reduced considerably, although remains of past emissions still exist in river sediments. The sediments are highly contaminated with polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs), polychlorinated diphenyl ethers (PCDEs), and mercury originating from production of the chlorophenolic wood preservative (Ky-5) and other sources. The objective of this study was to simulate the transport of these PCDD/F compounds with a one-dimensional flow and transport model and to assess the impact of restoration dredging. Using the estimated trend in PCDD/F loading, downstream concentrations were calculated until 2020. If contaminated sediments are removed by dredging, the temporary increase of PCDD/F concentrations in downstream water and surface sediments will be within acceptable limits. Long-term predictions indicated only a minor decrease in surface sediment concentrations but a major decrease if the most contaminated sediments close to the emission source were removed. A more detailed assessment of the effects is suggested.     

Capillary zone electrophoresis of some extremely weak bases in acetonitrile

In water capillary zone electrophoresis cannot be used to investigate basic compounds, which are so weak that their pK(a,HB+) values are less than zero. In acetonitrile the basic strength of such compounds is increased by many orders of magnitude. Accordingly, several extremely weak bases are protonated at low pH in acetonitrile, thus, allowing their investigation by CZE. In this work the CZE separation of thioacetamide, acetamide, thiourea, benzamide, and 4-nitrobenzamide as well as that of N-methylformamide, N,N-dimethylformamide, formamide, and dimethyl sulfoxide is demonstrated in acetonitrile using 10 mmol/L perchloric acid as an electrolyte. The effect of BGE additives, like water and acetic acid, on the CZE performance is discussed. The problem of finding a suitable electroosmotic flow marker at low pH in acetonitrile is addressed, and nitromethane is shown to be a proper marker compound under such extreme conditions. This work demonstrates how organic solvents can enlarge the field of application of CZE.     

Hydrothermal synthesis of cobalt-doped vanadium oxides: Antimicrobial activity study

Cobalt-doped vanadium oxide (CoVOx) nanocomposites were synthesized using facile hydrothermal sol-gel method. The final products were annealed at 500?°C in the furnace for 2?h under vacuum and air, which led to Co₃(VO₄)₂, CoV₂O₆ and pure V₂O₅ powders respectively. The nanoparticles (NPs) were characterized by X-ray Diffraction and Scanning Electron Microscopy (SEM). The magnetization behavior of the samples shows step–like increase for CoV₂O₆ material while the magnetic moment is quasi saturated at 2?T for Co₃(VO₄)_2.The antibacterial activity of CoVOx nanocomposites was tested against two gram negative and two gram positive bacterial isolates. The bacterial strains were treated with increasing concentrations of NPs (0–3.5?mg/ml) for 24?h. The cell viability was assessed using Alamar Blue assay to monitor the response and health of the cells in culture after treatment with various pathogens. Among the three NPs tested, Co₃(VO₄)₂ and CoV₂O₆ showed enhanced anti-bacterial activity on the four isolates compared to V₂O₅ which manifests an activity on E.coli at the highest dosage.     

Performance of fluorene and terthiophene copolymer in bilayer photovoltaic devices: The role of the polymer conformations

We report experiments using fluorene and terthiophene copolymer as the active layer in bilayer devices with C₆₀. The highest short circuit current, open circuit voltage and power conversion efficiency upon AM1.5 illumination were 6.8 mA/cm², 0.68 V and 2.33%, respectively. Density functional theory analysis was used to identify the most stable configurations of the terthiophene moieties in the polymer: the most stable form has the thiophene rings in the alternate configuration (anti) and the second conformation has the thiophene rings pointing to the same direction (syn). Comparing theoretical results with measurements of absorbance, X-ray diffraction, and X-ray reflectometry experiments, we conclude that the annealing treatment produces conformational anti to syn transition along the backbone of poly[9,9′-n-dihexyl-2,7-fluorene-alt-2,5-terthiophene] (LaPPS45). The syn segments of the chain condensed then in a lamellar ordered structure which increases the degree of crystallinity of the annealed samples and improve the light harvest at long wavelengths. From absorption measurements of films submitted to different annealing temperatures and with the help of theoretical calculations we propose a “wave-like” aggregation pattern to the syn segments in those lamellas.     

Ultrasound evaluation of mechanical injury of bovine knee articular cartilage under arthroscopic control

A local cartilage injury can trigger development of posttraumatic osteoarthritis (OA). Surgical methods have been developed for repairing cartilage injuries. Objective and sensitive methods are needed for planning an optimal surgery as well as for monitoring the surgical outcome. In this laboratory study, the feasibility of an arthroscopic ultrasound technique for diagnosing cartilage injuries was investigated. In bovine knees (n = 7) articular cartilage in the central patella and femoral sulcus was mechanically degraded with a steel brush modified for use under arthroscopic control. Subsequently, mechanically degraded and intact adjacent tissue was imaged with a high frequency (40 MHz) intravascular ultrasound device operated under arthroscopic guidance. After opening the knee joint, mechanical indentation measurements were also conducted with an arthroscopic device at each predefined anatomical site. Finally, cylindrical osteochondral samples were extracted from the measurement sites and prepared for histological analysis. Quantitative parameters, i.e., reflection coefficient (R), integrated reflection coefficient (IRC), apparent integrated backscattering (AIB), and ultrasound roughness index (URI) were calculated from the ultrasound signals. The reproducibilities (sCV %) of the measurements of ultrasound parameters were variable (3.7% to 26.1%). Reflection and roughness parameters were significantly different between mechanically degraded and adjacent intact tissue (p < 0.05). Surface fibrillation of mechanically degraded tissue could be visualized in ultrasound images. Furthermore, R and IRC correlated significantly with the indentation stiffness. The present results are encouraging; however, further technical development of the arthroscopic ultrasound technique is needed for evaluation of the integrity of human articular cartilage in vivo.