Application of a line implicit method to fully coupled system of equations for turbulent flow problems

For unstructured finite volume methods, we present a line implicit Runge–Kutta method applied as smoother in an agglomerated multigrid algorithm to significantly improve the reliability and convergence rate to approximate steady-state solutions of the Reynolds-averaged Navier–Stokes equations. To describe turbulence, we consider a one-equation Spalart–Allmaras turbulence model. The line implicit Runge–Kutta method extends a basic explicit Runge–Kutta method by a preconditioner given by an approximate derivative of the residual function. The approximate derivative is only constructed along predetermined lines which resolve anisotropies in the given grid. Therefore, the method is a canonical generalisation of point implicit methods. Numerical examples demonstrate the improvements of the line implicit Runge–Kutta when compared with explicit Runge–Kutta methods accelerated with local time stepping.     

Influence of the surface morphology on the melting of polymer crystals. I. Loops of random length and adjacent reentry

A polymer crystal with a noncrystalline surface layer formed by chain loops of different lengths is considered. It is assumed that the length of each loop can be changed by longitudinal diffusion of the molecule through the crystal lattice. From the condition that the free energy of the system is minimum, the loop length distribution and the average loop length as function of temperature are calculated. In contrast to the results for loops of equal length, for the present model, a substantial thickness of the noncrystalline surface layer and a broad melting range is obtained also for the case of adjacent reentry. In order to get this result one has to take into account that even an “ideal fold” consists of at least four rigidly arranged CH2 groups in energetically unfavored conformation.     

Liquid crystalline properties and photochromism of 4-alkyl-N-(4-alkloxysalicylidene)anilines

Eight new homologous series of 4-alkyl-N-(4-alkloxysalicylidene)anilines were synthesized. The phase transitions of these homologues were determined using differential scanning calorimetry and polarizing optical microscopy. The homologues began to exhibit liquid crystalline phases as the terminal alkyl or alkoxyl chains were lengthened. In addition, some members of these homologues series exhibited photochromism in the solid state.     

Synthesis of 4‐Arylthio‐3‐hydroxyphthalate by the Diels–Alder Reactionof 4‐Arylthio‐3‐hydroxy‐2‐pyrone

Treatment of 4‐arylthio‐3‐hydroxy‐2‐pyrones with acetylenedicarboxylates gave 4‐arylthio‐3‐hydroxyphthalates by the base‐catalyzed Diels–Alder reaction via a decarboxylation in good yields.     

Mesogenic and optical properties of α,α′‐bis(4‐alkoxyphenylethynyl)oligothiophenes

Liquid crystalline α,α′‐bis(4‐alkoxyphenylethynyl)oligothiophenes (bi‐ and ter‐thiophene) have been synthesized and their mesogenic behaviour and optical properties investigated. They all exhibited a nematic mesophase, and compounds with long alkoxy chains also showed lamellar phases. Increasing the number of thiophene units increased both the transition temperatures and the mesophase ranges. As for their optical properties, incorporating more thiophene units results in red‐shifted absorption and emission spectra, slightly enhanced quantum efficiency, and a larger Stoke's shift. Most importantly, in terms of the absorption and emission maxima, the incorporation of one 4‐alkoxyphenylethynyl moiety was found to be equivalent to adding one thiophene ring.     

Dispersive liquid–liquid microextraction and spectrophotometric determination of cobalt in water samples

A new simple and rapid dispersive liquid–liquid microextraction has been applied to preconcentrate trace levels of cobalt as a prior step to its determination by spectrophotometric detection. In this method a small amount of chloroform as the extraction solvent was dissolved in pure ethanol as the disperser solvent, then the binary solution was rapidly injected by a syringe into the water sample containing cobalt ions complexed by 1-(2-pyridylazo)-2-naphthol (PAN). This forms a cloudy solution. The cloudy state was the result of chloroform fine droplets formation, which has been dispersed in bulk aqueous sample. Therefore, Co-PAN complex was extracted into the fine chloroform droplets. After centrifugation (2 min at 5000 rpm) these droplets were sedimented at the bottom of conical test tube (about 100 µL) and then the whole of complex enriched extracted phase was determined by a spectrophotometer at 577 nm. Complex formation and extraction are usually affected by some parameters, such as the types and volumes of extraction solvent and disperser solvent, salt effect, pH and the concentration of chelating agent, which have been optimised for the presented method. Under optimum conditions, the enhancement factor (as the ratio of slope of preconcentrated sample to that obtained without preconcentration) of 125 was obtained from 50 mL of water sample, and the limit of detection (LOD) of the method was 0.5 µg L^?1and the relative standard deviation (RSD, n = 5) for 50 µg L^?1 of cobalt was 2.5%. The method was applied to the determination of cobalt in tap and river water samples.     

Effect of spacer length on mesomorphic behaviours of chiral liquid crystal compounds containing (-)-menthyl

ABSTRACT

A homologous series of new chiral liquid crystal compounds, MnBEB (n = 4–10), was prepared by covalently linking a chiral (–)-menthyl with biphenyl-benzoate via a dicarboxylic spacer of varying length and parity. A combination of analysis methods, such as FT-IR, ¹H NMR spectra, differential scanning calorimetry (DSC), polarised optical microscopy (POM) and X-ray diffraction was carried out to systematically investigate their phase structures and phase transition behaviours. The length and parity of the flexible spacers has a profound influence on the T_m and T_c and a modest odd-even effect is observed for the chiral liquid crystal compounds MnBEB. Only compound M4BEB developed an N* phase with selectively reflection on heating and a blue phase on cooling process. In addition, increasing the length of the flexible spacers tends to narrow the temperature range of the N* phase and widen the smectic phase, moreover, the pitch becomes longer with the spacer increases.     

TRIFLUOROMETHYLTHIOLATION OF NORBORNENE

Treatment of norbornene with trifluoromethylsulfenyl chloride at ?80°C furnishes, in addition to trifluoromethylthionortricyclane, four isomeric (chloro) (trifluoromethylthio)-norbornanes and bis-(2, 6-trifluoromethylthio)norbornane. The probable mechanism of the formation of the various compounds via free radical intermediates and their mass spectral characterization are described in this communication.     

Isotope Zusammensetzung Der Mineralwässer Der Mongolei

Abstract

The isotopic composition (D, ¹⁸O, ⁸⁷Sr, ³He) of thermal and mineral waters of Mongolia is discussed. The Sr-isotope ratio depends on the rock's contact. Near the Chubsugul-lake ³He-/⁴He-values are high. A certain similarity between the waters of Mongolia and those of East Siberia can be derived from the obtained data.