A comparative study of a direct and pulse electrodeposition method of TiO2 films and its effect on photoelectrocatalytic degradation of methyl orange dye

The present study reports the titanium dioxide (TiO2) films synthesized from TiCl3 precursor on ITO glass substrates using two electrochemical techniques, namely direct electro-deposition (DE) and pulse electro-deposition (PE). The synthesis potential during the time-on (Ton) period was fixed at ?1.5 V. However, the open-circuit potential was applied during the time-off (Toff) period. The effect of the technique of electro-deposition and Toff duration on the properties of TiO2 films and their photoelectron-catalytic activity were investigated. The obtained films were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-VIS spectrometer, and photocurrent measurement respectively. It is found that the use of the PE technique at different Toff improves the properties of TiO2 films compared to the DE technique. The XRD patterns show the anatase phase with a marked preferential orientation along the (101) direction for all samples. From the SEM analysis, it is seen a significant change from big multigrain agglomerates at DE to a dense film structure and small multigrain agglomerates at different Toff. As the Toff decreases from 3 s to 1 s, the photocurrent response rises and reaches a high value of about 12 mA/cm2. Compared with DE, and under UV light the photocatalytic property of TiO2 film synthesis via PE has been improved in the degradation of methyl orange (MO). Finally, the films deposited at low Toff (Toff =1 s) show a faster degradation of MO.     

Elasticity and lattice vibrational properties of transparent polycrystalline yttrium–aluminium garnet: Experiments and pair potential calculations

Brillouin light scattering, Raman light scattering and visible–infrared reflectometry techniques have been used to investigate, respectively, the elastic properties, the phonons and the optical properties of bulk textured polycrystalline yttrium–aluminum garnet doped with 2 at% neodymium obtained by the sintering of commercial oxides. From the analysis of the observed bulk longitudinal and transverse acoustic modes with the knowledge of the refractive index 1.81 inferred from the visible reflectometry, the two independent effective elastic constants of the isotropic polycrystal C₁₁ = 362 GPa and (C₁₁ − C₁₂)/2 = 121 GPa are determined leading to the value of the bulk modulus B = (C₁₁ + 2C₁₂)/3 = 200 GPa. The ratio ₀/_∞ = 3.1 and the optic permittivity _∞ = 3.46 are derived from the infrared reflectivity data. Pair potential calculations of the three single crystal elastic constants c₁₁ = 340, c₁₂ = 127 and c₄₄ = 112 GPa, of the bulk modulus B = (c₁₁ + 2c₁₂)/3 = 198 GPa, of the zone-center (Γ) phonons and of the permittivity function provide good comparison with our experimental results.     

First-Principles Investigation of Half-metallic Ferromagnetism in V-doped BeS, BeSe, and BeTe

We have investigated the electronic structure and half-metallic ferromagnetism in zinc blende phase of Be_1?x V _x M (M=S, Se, Te) at concentration x=0.125 by employing a first-principles calculations within the framework of density functional theory (DFT) based on the linearized augmented plane wave method (FP-LAPW), as implanted in the WIEN2k code with generalized gradient approximation functional proposed by Wu and Cohen (WC-GGA). The electronic properties exhibit half-metallic behavior. So the density of states shows the hybridization between the p (S, Se, Te) and 3d (V) states that creates the antibonding states in the gap, which stabilizes the ferromagnetic ground state associated with the double-exchange mechanism, whereas the spin polarized band structures depict half-metallic gap that increases from Be_0.875V_0.125S to Be_0.875V_0.125Se to Be_0.875V_0.125Te. These compounds are robust half-metallic ferromagnets with spin polarization of 100 % and predicted to be potential candidates for spin injection applications in spintronic devices. Therefore, our predictions require an experimental confirmation in the future.     

Dynamic and multiphysic PEM electrolysis system modelling: A bond graph approach

Proton exchange membrane (PEM) electrolysis technology appears as a key technology in the development of hydrogen-energy market applications such as energy storage or fuel for mobility. Its coupling with renewable electrical sources involves some issues related to the intermittent operation of PEM electrolysis systems. Within this framework, modelling is an essential tool to understand these issues, provide a thorough analysis and suggest some design optimization. A bibliographic analysis was carried out to identify existing models. State of the art highlighted that, although it is critical for the conception of such systems, only a few models take into account the dynamic of the whole system including balance of plant. Therefore, in this paper a new dynamic and multiphysic model of a proton exchange membrane electrolysis system is presented. It was first developed under a graphical modelling formalism: the bond graphs (BG). Regarding dynamic and multiphysic modelling of complex systems, the BG have many advantages: it involves four levels of modelling using only one tool; it is a unified multiphysic approach; the parameters used have a physical meaning; the BG model can be refined very easily by adding new elements without having to start again the modelling process. Finally, because of its causal and structural properties, BG is suitable for modelling but also for control, sizing and diagnosis analysis. The model was then transcribed systematically into block diagrams in modular fashion for reutilisability of model libraries components. After a validation process, the model was proved to describe accurately the dynamic behaviour of a semi-industrial PEM electrolysis system (25 kW). The dynamic model can now be used to achieve some analyses through BG structural properties and simulations. Thus, it is a powerful tool to improve the design of PEM electrolysis systems powered by intermittent electrical sources.     

Bond graph model of a vertical U-tube steam condenser coupled with a heat exchanger

A simulation model for a vertical U-tube steam condenser in which the condensate is stored at the bottom well is developed in this paper. The U-tubes carrying the coolant are partially submerged in the stored condensate and thus the bottom well acts as a heat exchanger. The storage of hydraulic and thermal energies is represented using a coupled pseudo-bond graph model. Advection effects are modelled by considering reticulated segments of the tubes carrying coolant, over which condensation takes place. The developed model is of intermediate complexity and it is intended for use in observer based real time process supervision, which works by comparing the process behaviour to the reference model outputs. The simulation results obtained from the bond graph model are validated with experimental data from a laboratory set-up.     

Stress analysis in single molar tooth

The human tooth faces different stresses under environments of different loading conditions, these loading produces major factors in weakness of the tooth and bone structure. The need to save natural teeth has prompted the development of novel and complex techniques in endodontology, prosthodontics and periodontology. Despite a poor long-term prognosis and some prejudice to local bone, considerable efforts have been exerted for the realization of these techniques. Nowadays, the 3D finite element analysis (FEA) is one of the more recently used techniques for stress analysis in single human tooth under different loading cases. The von Mises stress distribution indicated that the greatest effort area of tooth lies at the base of crown up to the gingival line with varying intensities in the different loading cases. The highest stress in the cortical bone was predominantly found around the cervical region of the tooth and lowest in the cancellous bone and periodontal ligament (PDL). The PDL is a soft tissue, and it could function as an intermediate cushion element which absorbs the impact force and uniformly transfers the occlusal forces into the surrounding bone.     

Study of the combustion efficiency of polymers using a pyrolysis–combustion flow calorimeter

The combustion efficiency of various polymeric materials was studied using a pyrolysis–combustion flow calorimeter (PCFC). Decreasing the combustion temperature in a PCFC leads to partial combustion and lower heat release rates. Combustion efficiency versus combustion temperature was modeled using a phenomenological equation and model parameters were related to the chemical structures of eight pure polymers. The flame inhibition effect was evaluated for two classical approaches in flame retardancy by plotting the combustion efficiency versus the combustion temperature. In the first one (the reactive approach), polystyrenes with different chemical groups substituted on the aromatic ring were studied. In the second one (the additive approach), three well-known flame retardants were incorporated into an ABS matrix: ammonium polyphosphate, tetrabromobisphenol A (TBBA), and a TBBA/antimony trioxide system. Results confirm the flame inhibition effect of halogenated compounds in both approaches. Finally, a correlation between peaks of heat release rate (pHRR) in a cone calorimeter and in a PCFC was attempted. Predicting pHRR in a cone calorimeter using a PCFC appears possible when no barrier effect is expected, if PCFC tests are carried out at a precise combustion temperature, for which the combustion efficiencies in both tests are the same.     

Forced Convection Laminar Film Condensation of Downward Flowing Vapor on a Single Horizontal Elliptic Cylinder or a Bank of Elliptical Tubes

A numerical study is performed on the laminar film condensation of pure saturated vapor flowing in the direction of gravity on a single horizontal elliptic cylinder or a bank of elliptical tubes. Temperature, velocity distribution, and heat transfer coefficient of the fully developed flow are carried out with a fully implicit finite difference scheme. The equality of shear stress at the liquid-vapor interface is used as the coupling condition between the two phases. The inertia and convection term are retained in the analysis. Outside of the vapor boundary layer, the vapor phase velocity is obtained from potential flow. The method of source density distribution on the body surface is used for determination of the external vapor velocity in elliptical tube banks. The effect of inundation produced by condensate on upper ellipses is taken into account by assuming that the vapor velocity field is not affected by the condensate flow from one elliptic cylinder to another. Based on the obtained solutions of flow field, the effect of surface tension, the interaction because of the ellipse spacing, and the inundation on the heat transfer coefficient and the boundary layer separation point have been evaluated. The results of this analysis are discussed especially in function of eccentricity e (effect of the surface tension). The heat transfer in interellipse space is analyzed and compared with the theoretical and experimental results of other authors. Good agreement is shown.     

Improvement of the fire behavior of poly(1,4‐butanediol succinate)/flax biocomposites by fiber surface modification with phosphorus compounds: molecular versus macromolecular strategy

The grafting of phosphorus compounds onto natural fibers has been investigated as a strategy for improving poly(1,4‐butanediol succinate)/flax biocomposite fire behavior. Three phosphorus compounds ? dihydrogen ammonium phosphate, poly(methacryloyloxy)methyl phosphonic acid homopolymer and poly(methacryloyloxy)methyl phosphonic acid methylmethacrylate copolymer ? were selected. The aim of this work was to compare the fire performance conferred by the grafted compounds depending on whether phosphorus is brought by a molecule or a macromolecule. TGA, pyrolysis combustion flow calorimetry and cone calorimetry were used to characterize the thermal stability and fire behavior of the samples. The pyrolysis combustion flow calorimetry results showed that in all cases the presence of phosphorus changes the degradation pathway and thus the flammability properties of flax. The ability of the grafted flame retardant to promote char formation and residue formation was found to be dependent on the nature and quantity of phosphorus covalently bonded to flax. Conversely, cone calorimeter tests revealed similar fire behavior whatever the grafting agent. A significant increase of the char amount and a global enhancement of fire parameters were observed with increasing grafting rate. Moreover, phosphonated polymers promoted a charred sheath around the fibers which acts in addition to their charring, conferring a fire performance close to that of dihydrogen ammonium phosphate for the biocomposite.