Numerical simulations of negatively buoyant jets in an immiscible fluid using the Particle Finite Element Method

Negatively buoyant jets consist in a dense fluid injected vertically upward into a lighter ambient fluid. The numerical simulation of this kind of buoyancy‐driven flows is challenging as it involves multiple fluids with different physical properties. In the case of immiscible fluids, it requires, in addition, to track the motion of the interface between fluids and accurately represent the discontinuities of the flow variables. In this paper, we investigate numerically the injection of a negatively buoyant jet into a homogenous immiscible ambient fluid using the Particle Finite Element Method and compare the two‐dimensional numerical results with experiments on the injection of a jet of dyed water through a nozzle in the base of a cylindrical tank containing rapeseed oil. In both simulations and experiments, the fountain inlet flow velocity and nozzle diameter have been varied to cover a wide range of Froude Fr and Reynolds Re numbers ( 0.1 < Fr < 30, 8 < Re < 1350), reproducing both weak and strong laminar fountains. The flow behaviors observed for the different numerical simulations fit in the regime map based on the Re and Fr values of the experiments, and the maximum fountain height is in good agreement with the experimental observations, suggesting that particle finite element method is a useful tool for the study of immiscible two‐fluid systems. Copyright © 2011 John Wiley & Sons, Ltd.     

Genetic Manipulation of the Fusarium fujikuroi Fusarin Gene Cluster Yields Insight into the Complex Regulation and Fusarin Biosynthetic Pathway

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Base‐Stabilized Boryl and Cationic Haloborylene Complexes of Iron

The synthesis of base‐stabilized boryl and borylene complexes is reported. An N‐heterocyclic carbene (NHC)‐stabilized iron–dihydroboryl complex was prepared by two different routes including methane liberation and salt elimination. A range of base‐stabilized iron–dichloroboryl complexes was prepared by addition of Lewis bases to boryl complexes. Base‐stabilized, cationic monochloroborylene complexes were synthesized from these boryl complexes by halide abstraction by using weakly coordinating anions.     

A regularization approach for damage models based on a displacement gradient

Common material models that take into account softening effects due to damage encounter the problem of ill-posed boundary value problems if no regularization is applied. This condition leads to a non-unique solution for the resulting algebraic system and a strong mesh dependence of the numerical results. A possible solution approach to prevent this problem is to apply regularization techniques that take into account the non-local behavior of the damage [1]. For this purpose a field function is used to couple the local damage parameter to a non-local level, in which differences between the local and non-local parameter as well as the gradient of the non-local parameter can be penalized. In contrast, we present a novel approach to regularization in which no field function is needed [2]. Hereto, the regularization is carried out by means of the divergence of the displacements and no additional quantity is necessary since the displacements are already defined on a non-local level. The idea is that with an increasing value of the damage the element's volume will increase as well. This is a result of the softening due to the occurring damage. The increasing volume can be measured by the divergence of the displacements which can be penalized by an additional energy part. The lack of any field function and the regularization by the use of the divergence of the displacements entails several numerical advantages: the computational effort is considerably reduced and the convergence behavior is improved as well. Naturally, the numerical results are mesh independent due to the regularization. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

In Situ Grignard Metalation Method for the Synthesis of Hauser Bases

The in situ Grignard Metalation Method (iGMM) is a straightforward one-pot procedure to quickly produce multigram amounts of Hauser bases R₂N-MgBr which are valuable and vastly used metalation reagents and novel electrolytes for magnesium batteries. During addition of bromoethane to a suspension of Mg metal and secondary amine at room temperature in an ethereal solvent, a smooth reaction yields R₂N-MgBr under evolution of ethane within a few hours. A Schlenk equilibrium is operative, interconverting the Hauser bases into their solvated homoleptic congeners Mg(NR₂)₂ and MgBr₂ depending on the solvent. Scope and preconditions are studied, and side reactions limiting the yield have been investigated. DOSY NMR experiments and X-ray crystal structures of characteristic examples clarify aggregation in solution and the solid state.