Determination of Retention Factors of s-Triazines Homologous Series in Water Using a Numerical Method Basing on Ościk's Equation

The retention factors in pure water for a homologous series of s-triazines were calculated by a numerical method basing on Ościk's equation and were correlated with log k _w values obtained by linear and parabolic extrapolation. Chromatographic data (log k _w ) were compared with the software-calculated partition coefficients in the n-octanol/water system (Alog P, IAlog P, clog P, log P _Kowin , xlog P, log P _ACD and log P _Chem.Off.) as alternative hydrophobicity indices. The effect of organic modifier (methanol and acetonitrile) and its concentration in the mobile phase used for log k _w evaluation were investigated. Very good linear correlations were found between log k _w values calculated by the numerical method and log P _ACD , log P _Chem.Off . and clog P values, independent of organic modifier type.

     

Investigation of lengthscales, scalar dissipation, and flame orientation in a piloted diffusion flame by LES

This work investigates the structure of a diffusion flame in terms of lengthscales, scalar dissipation, and flame orientation by using large eddy simulation. This has been performed for a turbulent, non-premixed, piloted methane/air jet flame (Flame D) at a Reynolds-number of 22,400. A steady flamelet model, which was represented by artificial neural networks, yields species mass fractions, density, and viscosity as a function of the mixture fraction. This will be shown to suffice to simulate such flames. To allow to examine scalar dissipation, a grid of 1.97 × 10⁶ nodes was applied that resolves more than 75% of the turbulent kinetic energy. The accuracy of the results is assessed by varying the grid-resolution and by comparison to experimental data by Barlow, Frank, Karpetis, Schneider (Sandia, Darmstadt), and others. The numerical procedure solves the filtered, incompressible transport equations for mass, momentum, and mixture fraction. For subgrid closure, an eddy viscosity/diffusivity approach is applied, relying on the dynamic Germano model. Artificial turbulent inflow velocities were generated to feature proper one- and two-point statistics. The results obtained for both the one- and two-point statistics were found in good agreement to the experimental data. The PDF of the flame orientation shows the tilting of the flame fronts towards the centerline. Finally, the steady flamelet approach was found to be sufficient for this type of flame unless slowly reacting species are of interest.     

Investigation of turbulence modification in a non-reactive two-phase flow

In a two-phase flow the influence of a dispersed phase on the turbulence properties of a continuous phase, known as turbulence modification, is investigated. An experimental approach is discussed that is suitable for studying the decay of grid-generated turbulence in a vertically orientated wind tunnel with a cross-section large enough to avoid influences from walls. Phase Doppler anemometry is used to characterize both single and two-phase flow by measuring mean axial and radial velocity components, velocity fluctuations, turbulent kinetic energy, and integral time scales. By direct comparison of results from single- and two-phase flows, the feedback of the dispersed phase on the continuous phase can be isolated. The data is used to deduce a source term for particle-induced turbulence production appropriate for a numerical simulation of the flow, based on the Reynolds-averaged Navier-Stokes equations. Although of special importance for a detailed understanding of turbulent two-phase combustion, additional complexity introduced by evaporation and chemical reactions is avoided by using glass beads as dispersed phase.     

Experimental Study on Stabilization of Lifted Swirl Flames in a Model GT Combustor

This study reports on experimental investigations on isothermal and reacting swirled non-premixed flows under varying pressure conditions. In this configuration, a central high speed fuel jet was surrounded by a heated swirling air flow. For the reacting case natural gas served as fuel whereas for isothermal conditions fuel was replaced by a mixture of helium and air to achieve Reynolds-similarity. The optically accessible combustor allowed for application of laser diagnostics. Here we report on Laser Doppler Anemometry and planar laser-induced fluorescence (PLIF) experiments used to characterize the flow field and visualize selected scalars, respectively. Acetone served as a fluorescence marker for mixture fraction investigations. The hydroxyl radical was used to provide general features of the reaction zone such as flame shape and mean stabilization. To expose the influence of pressure on the flame structure three different operating points were investigated varying the combustor pressure between 2 and 6 bar while the inflow bulk velocities remained the same. Striking features of the present configuration are a detached flame, multiple recirculation zones, and complex coherent flow structures.     

Analysis of Unsteady Motion with Respect to Noise Sources in a Gas Turbine Combustor: Isothermal Flow Case

In order to evaluate the direct and indirect contributions to the total combustion noise emission, a combustion chamber consisting of a swirl burner and an exit nozzle of Laval-shape, representing a gas turbine combustor, is investigated by means of experiments and large eddy simulation. Focused on the isothermal flow case first and encouraged by a good overall agreement between the LES and the experimental data for the flow field, a first characterisation of the flow with respect to noise sources is performed. To analyse acoustic properties of the flow, time and length scales are evaluated inside the combustor. Furthermore, the evidence for the existence of a precessing vortex core (PVC), typical for configurations with swirl, is revealed. Finally, the effect of the PVC on the flow inside the Laval nozzle is discussed.     

Chirality at phosphorus: hybrid duplexes of chimeric oligonucleotides containing methylphosphonothioate linkages with complementary DNA and RNA

Chimeric oligonucleotides with incorporated diastereomerically pure dinucleoside(3′,5′)-methylphosphonothioates and their oxo- and seleno- congeners of known absolute configuration are reported. The relation between stability of the hybrid duplexes with complementary DNA and RNA and their structure is analyzed in context of absolute configuration of the P-chiral internucleotide bonds.     

Towards a classification of models for the numerical simulation of premixed combustion based on a generalized regime diagram

The inner structure, and the physical behaviour of turbulent premixed flames are usually described, and classified by means of the regime diagram introduced by Borghi and Peters. Thereby properties related to both the flame and the (turbulent) flow are considered. In this work a diagram valid for all physical regimes, comprising suitable requirements for laminar simulations, direct numerical simulation (DNS), large-eddy simulation (LES), and Reynolds averaging based numerical simulation (RANS) is proposed. In particular the diagram describes essential situations within the validity limits of the “Borghi, Peters diagram” which physical phenomena are resolved by the simulation, and which have to be modelled. This information is used for systematic classification of various models by suggesting specific models that are appropriate depending on the regime and numerical resolution, and may provide guidance for numerical simulation methods and model development in turbulent premixed combustion. This might help users as a guideline in choosing appropriate models for a given device, and numerical effort available. The regime diagram suggested by Pitsch and Duchamp de Lageneste, which includes DNS and LES by explicitely accounting for the numerical related variable filterwidth, emerges here as one of the special two-dimensional cases possible. In contrast to the generalized regime diagram, their diagram does not include laminar simulations, and RANS based considerations, while transition between wrinkled and corrugated flamelets is not clearly established.     

Sensitivity Studies of Large Eddy Simulations of Combustion Systems with an Unstructured Implicit Solver

Isothermal as well as reacting turbulent flows are investigated by means of LES with the implicit, unstructured code PRECISE-UNS. Primarily, the swirl burner configuration TECFLAM is simulated isothermal. Calculations with different time step sizes are taken out to examine the influence of the Courant number on the LES solution. In addition, the impact of the spatial resolution is investigated. Next, the jet diffusion flame configuration Sandia Flame D is calculated with the Flamelet Generated Manifold (FGM) approach. Mean profiles of the velocity components, mixture fraction and temperature as well as their variances are compared to experimental data. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A VOF Method for Isobaric Expandable Flows

In this paper a method is described to simulate isobaric multiphase flows at low Mach numbers with steep temperature gradients for fluids with non-negligible thermal expansivity. Governing equations and solution procedure are outlined. Further, a test case is shown in order to verify the model. Single phase natural convection flows with large temperature differences and either constant or temperature dependent transport properties were simulated to prove the solution of coupled Navier-Stokes and energy equations. (© 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)