An efficient method for the oxathioacetalization of carbonyl compounds using N-bromosaccharin as a catalyst

A mild and highly chemoselective method for the preparation of oxathiolane from aliphatic and aromatic aldehydes and ketones with 2-mercaptoethanol in the presence of catalytic amount of N-bromosaccharin at room temperature is reported.     

A hybrid scheme based on finite element/volume methods for two immiscible fluid flows

We have successfully extended our implicit hybrid finite element/volume (FE/FV) solver to flows involving two immiscible fluids. The solver is based on the segregated pressure correction or projection method on staggered unstructured hybrid meshes. An intermediate velocity field is first obtained by solving the momentum equations with the matrix‐free implicit cell‐centered FV method. The pressure Poisson equation is solved by the node‐based Galerkin FE method for an auxiliary variable. The auxiliary variable is used to update the velocity field and the pressure field. The pressure field is carefully updated by taking into account the velocity divergence field. This updating strategy can be rigorously proven to be able to eliminate the unphysical pressure boundary layer and is crucial for the correct temporal convergence rate. Our current staggered‐mesh scheme is distinct from other conventional ones in that we store the velocity components at cell centers and the auxiliary variable at vertices. The fluid interface is captured by solving an advection equation for the volume fraction of one of the fluids. The same matrix‐free FV method, as the one used for momentum equations, is used to solve the advection equation. We will focus on the interface sharpening strategy to minimize the smearing of the interface over time. We have developed and implemented a global mass conservation algorithm that enforces the conservation of the mass for each fluid. Copyright © 2009 John Wiley & Sons, Ltd.     

An implementation of the Spalart–Allmaras DES model in an implicit unstructured hybrid finite volume/element solver for incompressible turbulent flow

In this paper, we describe an implicit hybrid finite volume (FV)/element (FE) incompressible Navier–Stokes solver for turbulent flows based on the Spalart–Allmaras detached eddy simulation (SA‐DES). The hybrid FV/FE solver is based on the segregated pressure correction or projection method. The intermediate velocity field is first obtained by solving the original momentum equations with the matrix‐free implicit cell‐centered FV method. The pressure Poisson equation is solved by the node‐based Galerkin FE method for an auxiliary variable. The auxiliary variable is closely related to the real pressure and is used to update the velocity field and the pressure field. We store the velocity components at cell centers and the auxiliary variable at vertices, making the current solver a staggered‐mesh scheme. The SA‐DES turbulence equation is solved after the velocity and the pressure fields have been updated at the end of each time step. The same matrix‐free FV method as the one used for momentum equations is used to solve the turbulence equation. The turbulence equation provides the eddy viscosity, which is added to the molecular viscosity when solving the momentum equation. In our implementation, we focus on the accuracy, efficiency and robustness of the SA‐DES model in a hybrid flow solver. This paper will address important implementation issues for high‐Reynolds number flows where highly stretched elements are typically used. In addition, some aspects of implementing the SA‐DES model will be described to ensure the robustness of the turbulence model. Several numerical examples including a turbulent flow past a flat plate and a high‐Reynolds number flow around a high angle‐of‐attack NACA0015 airfoil will be presented to demonstrate the accuracy and efficiency of our current implementation. Copyright © 2008 John Wiley & Sons, Ltd.     

Destabilisation of the Li-N-H hydrogen storage system with elemental Si

A significant improvement in the dehydrogenation kinetics of the (LiNH(2) + LiH) system was obtained upon doping with elemental Si. Whilst, complete dehydrogenation of the (LiNH(2) + LiH) system requires more than 2 h, the time required for full dehydrogenation was reduced to less than 30 min by doping with elemental Si. It is observed that Si thermodynamically destabilises the system through the formation of novel intermediate phases resulting from the reaction of Si with both LiNH(2) and LiH. Such intermediate phases are also believed to enhance reaction kinetics by providing a path for accelerated dehydrogenation and the rapid release of hydrogen at the early stages of the reaction. It is believed that the dehydrogenation kinetics of the (LiNH(2) + LiH) system, which is controlled by the diffusion of H(-) from LiH and H(+) from LiNH(2), becomes independent of diffusion upon Si addition due to an enhanced concentration gradient in reactive ionic species.     

Design and Fabrication of Artificial Skin: Chitosan and Gelatin Immobilization on Silicone by Poly Acrylic Acid Graft Using a Plasma Surface Modification Method

Acrylic acid (AAc) was grafted onto the surfaces of polydimethylsiloxane (PDMS) films using a two-step oxygen plasma treatment. The first step of this method included oxygen plasma pretreatment of the PDMS films, immersion in AAc, and drying. The second step was carried out by plasma polymerization of the preadsorbed reactive AAc on the surfaces of the dried pretreated films. Then chitosan and gelatin were immobilized onto the poly(acrylic acid) grafted silicone through covalent bonding. The films were characterized by attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and water contact angle measurements. Fibroblast cells (L929) were cultured onto the chitosan- and gelatin-immobilized poly(acrylic acid)-grafted silicone and poly(acrylic acid)-grafted silicone films. It was observed that the chitosan- and gelatin-immobilized surfaces showed significant cell growth in comparison with poly(acrylic acid)-grafted silicone samples. It seems that chitosan- and gelatin-immobilized surfaces may have an excellent potential to be used as a derm-like matrix.     

Toward Artificial Mussel-Glue Proteins: Differentiating Sequence Modules for Adhesion and Switchable Cohesion

Artificial mussel-glue proteins with pH-triggered cohesion control were synthesized by extending the tyrosinase activated polymerization of peptides to sequences with specific modules for cohesion control. The high propensity of these sequence sections to adopt β-sheets is suppressed by switch defects. This allows enzymatic activation and polymerization to proceed undisturbed. The β-sheet formation is regained after polymerization by changing the pH from 5.5 to 6.8, thereby triggering O→N acyl transfer rearrangements that activate the cohesion mechanism. The resulting artificial mussel glue proteins exhibit rapid adsorption on alumina surfaces. The coatings resist harsh hypersaline conditions, and reach remarkable adhesive energies of 2.64 mJ m⁻² on silica at pH 6.8. In in situ switch experiments, the minor pH change increases the adhesive properties of a coating by 300 % and nanoindentation confirms the cohesion mechanism to improve bulk stiffness by around 200 %.     

Numerical investigation of mixed convection heat transfer behavior of nanofluid in a cavity with different heat transfer areas

Journal of Thermal Analysis and Calorimetry - The main purpose of this research is the numerical modeling of laminar mixed convection heat transfer inside an open square cavity with different heat...     

Development of a hybrid finite volume/element solver for incompressible flows

In this paper, we report our development of an implicit hybrid flow solver for the incompressible Navier–Stokes equations. The methodology is based on the pressure correction or projection method. A fractional step approach is used to obtain an intermediate velocity field by solving the original momentum equations with the matrix‐free implicit cell‐centred finite volume method. The Poisson equation derived from the fractional step approach is solved by the node‐based Galerkin finite element method for an auxiliary variable. The auxiliary variable is closely related to the real pressure and is used to update the velocity field and the pressure field. We store the velocity components at cell centres and the auxiliary variable at cell vertices, making the current solver a staggered‐mesh scheme. Numerical examples demonstrate the performance of the resulting hybrid scheme, such as the correct temporal convergence rates for both velocity and pressure, absence of unphysical pressure boundary layer, good convergence in steady‐state simulations and capability in predicting accurate drag, lift and Strouhal number in the flow around a circular cylinder. Copyright © 2007 John Wiley & Sons, Ltd.     

Polyelectrolyte Nanocomposite Membranes,Based on Chitosan-phosphotungstic Acid Complex and Montmorillonite for Fuel Cells Applications

A polyelectrolyte complex (PEC) of chitosan and phosphotungstic acid (PWA) was prepared and characterized as a proton-conducting membrane for direct methanol fuel cell (DMFC) applications. Fourier transform infrared spectroscopy showed the presence of stable PWA in PEC. To reduce the methanol permeability, several amounts of montmorilonite (MMT) nanoclays (trade name: Cloisite Na) were introduced to the system. The X-ray diffraction patterns of nanocomposite membranes proved the nanoclay layers were exfoliated in the membranes at loading weights of MMT lower than 3 wt%. Proton conductivity and methanol permeability were measured. According to the selectivity parameter—ratio of proton conductivity to methanol permeability—PEC containing 2 wt% MMT (PEC/2 wt% MMT) was identified as the optimum composition. Finally, DMFC performance tests were investigated at 70°C and 5 M methanol feed and the optimum membrane showed higher maximum power density in comparison with Nafion 117. The results indicated the optimum nanocomposite membrane is a promising polyelectrolyte membrane (PEM) for DMFC applications.     

Mixed convection heat transfer of a nanofluid in a closed elbow-shaped cavity (CESC)

Journal of Thermal Analysis and Calorimetry - The current survey’s primary purpose is to conduct the computational modeling of laminar mixed convection heat transfer of nanofluids inside a...