Large-eddy simulations of high Reynolds number jets with a suitable subgrid-scale model for solver dependency study

Large-eddy simulations are performed of a turbulent round jet at Ma = 0.5 and 0.9. The solver dependency is explored on computationally affordable grids of 5 and 20 million grid points, by taking advantage of the consistency of the subgrid-scale sigma-model. Three different solvers are tested. With all three, the computed mean and second-order fluctuating quantities of the turbulent near field compare favorably with measurements, for both Mach numbers and both grids, showing the strength of the sigma-model in adapting to different flow conditions and grid refinements

(Sp)-1-Diphenylphosphanyl-2-{(S)-[2-(diphenylphosphanyl)phenyl]hydroxymethyl}ferrocene

The absolute configuration of the title compound, [Fe(C5H5)(C36H29OP2)], is Sp at the ferrocene group and S at the asymmetric C atom. Both P atoms have a trigonal-pyramidal conformation. There is a short intramolecular C-H...P contact with an H...P distance of 2.56 Å. The hydroxy group is involved in an intramolecular O-H...[pi]phenyl interaction. The crystal packing shows five very weak intermolecular C-H...[pi] contacts, with H...Cg distances between 3.26 and 3.39 Å (Cg is the centroid of a phenyl or cyclopentadienyl ring). Key indicators: single-crystal X-ray study; T = 162 K; mean σ(C–C) = 0.004 Å; R factor = 0.038; wR factor = 0.083; data-to-parameter ratio = 22.3