Large Eddy Simulation of mixing effects on the course of parallel chemical reactions and comparison with k-? modeling

The way in which reagents are mixed can have a large influence on the product distribution of chemical reactions. To model effects of mixing on various scales on the course of chemical reactions the method of Large Eddy Simulation (LES) of non-premixed, turbulent reactive flows of incompressible fluids is considered in this work. The subgrid modeling of chemical reaction is based on a beta distribution of the mixture fraction in combination with a conditional moment closure based on linear interpolation of local instantaneous reactant concentration values. The predictions obtained with LES are compared with experimental data for fast parallel chemical reactions, the fluid velocity measured using Particle Image Velocity (PIV) technique and the passive tracer concentration measured using the Planar Laser Induced Fluorescence (PLIF) technique. Predictions of the model based on LES are compared as well with results obtained using the non-equilibrium multiple-time-scale mixing model combined with a standard k-? model and employing similar conditional moment closure as LES, applied, however, at larger scale. All comparisons show a very good performance of the model based on LES.     

Synthesis and Characterization of Low Viscosity Dimethacrylic Resin Based on Isosorbide

In this article, synthesis and properties of novel dimethacrylic resin (ISETDMA) based on human friendly, biobased isosorbide was described. Its potential as a possible diluting monomer for medical applications, mainly dental restorative systems was assessed. The resin was obtained in two‐step synthesis including ethoxylation of isosorbide and subsequent methacrylation with methacryloyl chloride. ¹HNMR, FTIR, and electrospray ionization mass spectroscopy (ESI‐MS) techniques were used to identify products. ISETDMA as well as composition with 2,2‐bis[4‐(2‐hydroxy‐3‐methacryloyloxypropoxy)phenyl]propane were polymerized using UV initiator IRGACURE 651. Double bond conversion, polymerization shrinkage, water sorption, and sol fraction of resulting polymers were determined. Selected mechanical (flexural strength and modulus, Brinell hardness) and thermomechanical (dynamic mechanical analysis) properties were also investigated. Triethylene glycol dimethacrylate and 2,2‐bis(4‐(2‐methacryloxyethyl‐1‐oxy)phenyl)propane based homopolymers and copolymers were prepared as reference for comparison of particular properties. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 2514–2522, 2013     

CHANGES OF RHEOLOGICAL PROPERTIES OF APPLE TISSUE UNDERGOING CONVECTIVE DRYING

ABSTRACT

The aim of this work was to investigate rheological properties of apple cubes undergoing convective drying. Compression-relaxation test was used to follow changes of properties under investigation.

Raw apple appeared to be very heterogeneous material from the rheological point of view. The relationship between stress and strain was concave downwards and the concavity increased until water content of 2·5 g/g d.m. was reached. Then the relationship begun to straighten and for dry material developed stress was linearly dependent on strain. The resistance of deformation decreased with decreasing water content. Analysis of relaxation showed that the rate of relaxation increased with decreasing water content and the unrelaxed stress was smaller the lower was the water content.

Apple cubes undergoing drying are pictured as material composed of three compartments with different rheological properties. The outer layer is dry, inelastic and difficult to deform. Underneath is moist material with no turgor and relatively easy to compress, and the core with properties of raw apples. During drying the second layer grows in expense of the core and porous structure with many voids filled with air is formed. Share of each compartment in the volume of apple cube undergoing drying affects average rheological properties of the material.     

Synthesis,characterization and in vitro degradation of poly(ester-anhydride)s based on succinic acid and 1,6-bis-p-carboxyphenoxyhexane

This paper describes synthesis and characteristics of functional poly(ester-anhydride)s bearing allyl pendant groups. The polymers were obtained by polycondensation of 1,6-bis-p-carboxyphenoxyhexane (CPH) and oligo(3-allyloxy-1,2-propylene succinate) terminated with carboxyl groups (OSAGE). The carboxyl groups in OSAGE and in CPH were converted to mixed anhydride groups by acetylation with acetic anhydride. After that, prepolymers thus obtained were condensed in vacuum to yield poly(ester-anhydride)s. The structure of copolymers was confirmed by NMR spectroscopy. Influence of molecular weight of OSAGE as well as of the CPH and OSAGE content on selected properties of poly(ester-anhydride)s was examined. Poly(ester-anhydride)s were subjected to hydrolytic degradation at 37 °C, in aqueous phosphate buffer solution of pH 7.41 (PBS). The course of degradation was monitored by determination of weight loss of samples and ¹H NMR. Fracture surfaces of samples during degradation were examined by scanning electron microscopy.     

Corrosion-passivation processes in a cellular automata based simulation study

A short survey of cellular automata based models for corrosion and passivation phenomena is given. Results of simulations based on the model of spatially separated anodic and cathodic reactions are presented for a cavity development from a point-like damage of a protective layer and from an initially flat unprotected surface. We show some new peculiar examples of the symmetry breaking in the cavity development. The results for the initially flat surface show roughening of the surface at the beginning of the corrosion process. After that, pit merging causes a resmoothing of the surface. An oscillatory behavior of the surface roughness is observed caused by a peninsula formation with subsequent island detachment. These results are obtained in 2D because of computational limitations. We plan simulations in 3D and point out the problems we encounter in their realization.     

Scale transition and enforcement of RVE boundary conditions in second‐order computational homogenization

Formulation of the scale transition equations coupling the microscopic and macroscopic variables in the second‐order computational homogenization of heterogeneous materials and the enforcement of generalized boundary conditions for the representative volume element (RVE) are considered. The proposed formulation builds on current approaches by allowing any type of RVE boundary conditions (e.g. displacement, traction, periodic) and arbitrary shapes of RVE to be applied in a unified manner. The formulation offers a useful geometric interpretation for the assumptions associated with the microstructural displacement fluctuation field within the RVE, which is here extended to second‐order computational homogenization. A unified approach to the enforcement of the boundary conditions has been undertaken using multiple constraint projection matrices. The results of an illustrative shear layer model problem indicate that the displacement and traction RVE boundary conditions provide the upper and lower bounds of the response determined via second‐order computational homogenization, and the solution associated with the periodic RVE boundary conditions lies between them. Copyright © 2007 John Wiley & Sons, Ltd.     

Aminocatalytic Strategy for the Synthesis of Optically Active Benzothiophene Derivatives

A novel approach for the stereoselective synthesis of benzothiophene derivatives with a fused dihydropyran moiety is demonstrated. The reaction of 2‐alkylidenebenzothiophene‐3(2H)‐ones with dienamines derived from α,β‐unsaturated aldehydes and chiral secondary amines proceeds according to the inverse‐electron‐demand hetero‐Diels–Alder pathway. The formation of the aromatic benzothiophene moiety is a driving force for the developed reaction cascade. Target products bearing three adjacent stereogenic centers are obtained in excellent yields and in a highly stereoselective manner.

     

An effect of suint on sheep wool impedance and heat resistance values

ABSTRACT

The phenomenon of impedance finds an application in many areas of science; however, no studies relate to wool. Thus, the aim of the study was an examination of an effect of from the presence of suint layer on sheep wool fibers on impedance and heat resistance values. Electrical characteristics (impedance [Ω]) and heat resistance were compared in terms of wool washing effect. The impedance of wool samples was tested in the frequency range of 10 Hz to 1 MHz. In order to measure electrical characteristics and heat resistance values, five samples of greasy wool were collected from different sheep breeds, standardized by weight. After the analyses, the samples were washed and reexamined. The results showed significant differences in the impedance between the greasy and washed wool samples in each of the tested breed (p > 0.05). The suint layer reduces the impedance level, which was also confirmed by a heat resistance test results demonstrating that absence of suint layer on wool fibers significantly reduced this feature value (p > 0.05). This was also reflected in the weight differences between the examined wool samples before and after their washing.