Effect Of Free Rotation Research Articles

Numerical Investigation on Vortex-Induced Rotations of A Triangular Cylinder Using An Immersed Boundary Method

A numerical study of vortex-induced rotations (VIRs) of an equivalent triangular cylinder, which is free to rotate in the azimuthal direction in a uniform flow, is presented. Based on an immersed boundary method, the numerical model is established, and is verified through the benchmark problem of flow past a freely rotating rectangular body. The computation is performed for a fixed reduced mass of m*=2.0 and the structural stiffness and damping ratio are set to zero. The effects of Reynolds number (Re=25–180) on the characteristics of VIR are studied. It is found that the dynamic response of the triangular cylinder exhibits four distinct modes with increasing Re: a rest position, periodic rotational oscillation, random rotation and autorotation. For the rotational oscillation mode, the cylinder undergoes a periodic vibration around an equilibrium position with one side facing the incoming flow. Since the rotation effect, the outset of vortex shedding from cylinder shifts to a much lower Reynolds number. Further increase in Re leads to 2P and P+S vortex shedding modes besides the typical 2S pattern. Our simulation results also elucidate that the free rotation significantly changes the drag and lift forces. Inspired by these facts, the effect of free rotation on flow-induced vibration of a triangular cylinder in the in-line and transverse directions is investigated. The results show that when the translational vibration is coupled with rotation, the triangular cylinder presents a galloping response instead of vortex-induced vibration (VIV).

Exploratory conformational study of (+)-catechin. Modeling of the polarizability and electric dipole moment.

The extension of the study of the conformational space of the structure of (+)-catechin at the B3LYP/6-31G(d,p) level of theory is presented in this paper. (+)-Catechin belongs to the family of the flavan-3-ols, which is one of the five largest phenolic groups widely distributed in nature, and whose biological activity and pharmaceutical utility are related to the antioxidant activity due to their ability to scavenge free radicals. The effects of free rotation around all C-O bonds of the OH substituents at different rings are taken into account, obtaining as the most stable conformer, one that had not been previously reported. One hundred seven structures, and a study of the effects of charge delocalization and stereoelectronic effects at the B3LYP/6-311++G(d,p) level are reported by natural bond orbital analysis, streamlining the order of these structures. For further analysis of the structural and molecular properties of this compound in a biological environment, the calculation of polarizabilities, and the study of the electric dipole moment are performed considering the whole conformational space described. The results are analyzed in terms of accumulated knowledge for (4α → 6″, 2α → O → 1″)-phenylflavans and (+)-catechin in previous works, enriching the study of both types of structures, and taking into account the importance of considering the whole conformational space in modeling both the polarizability and the electric dipole moment, also proposing to define a descriptive subspace of only 16 conformers.

Effect of free rotation in polypyridinic ligands of Ru(ii) complexes applied in light-emitting electrochemical cells

In the present work we report the synthesis and the electrochemical, photoluminescent and electroluminescent properties of two new Ru(II) complexes described by the general formula [Ru(phen)2X](2+), where phen is 1,10-phenanthroline. The X ligand consists of a 2,2'-bipyridine (bpy) unit substituted with two phenyl rings connected to the bpy core through a saturated (Lhydro = 4,4'-diphenylethyl-2,2'-bipyridine) or a conjugated (LH = 4,4'-bis(α-styrene)-2,2'-bipyridine) carbon-carbon bridge. The photoluminescent spectra indicate that, both in solution and solid state, the complex bearing the aliphatic substitution bridges exhibits a higher quantum yield and a longer excited state lifetime than the fully conjugated complex. The new complexes were used in light-emitting electrochemical cells (LECs) showing red emission for the complex with the Lhydro ligand and no light emission for the complex incorporating the LH ligand. This and the photophysical properties make it plausible that for these complexes the degree of freedom increases with aliphatic substitution. As a consequence, the negative effect of the auto-quenching processes taking place in solid LEC devices due to the close molecular packing is limited. When compared with the archetype [Ru(phen)3](2+) complex, the complex with aliphatic substitution shows better performance in the device supporting the beneficial effect of the bulky substitution.

Effect of free rotation on the motion of a solid sphere in linear shear flow at moderate Re

The effect of free rotation on the drag and lift forces on a solid sphere in unbounded linear shear flow is investigated. The sphere Reynolds number, Re=|ur|d/ν, is in the range 0.5–200, where ur is the slip velocity. Direct numerical simulations of three-dimensional flow past an isolated sphere are performed using spectral methods. The sphere is allowed to rotate and translate freely in the shear flow in response to the hydrodynamic forces and torque acting on it. The effect of free rotation is studied in a systematic way by considering three sets of simulations. In the first set of simulations, we study how fast a pure rotational or translational motion of the sphere approaches steady state. The “history” effect of rotational and translational motions are compared. Results at high Re are found to be significantly different from the analytical prediction based on low Re theory. In steady simulations, the sphere is allowed to rotate in a torque-free condition. The torque-free rotation rate and the drag and lift forces under such a condition are reported. Comparisons are drawn with the forces on a nonrotating sphere. The effect of rotation is observed to be high in the range 5≲Re≲100. The total lift force is shown to be the sum of the lift force on a nonrotating sphere in shear flow and the lift force on a sphere that is forced to spin at the torque-free rotation rate in a uniform stream (Magnus effect). Finally, we consider the effect of combined free rotation and translation. It is observed that under such combined motion, the sphere achieves translational equilibrium with the local fluid much earlier than it can achieve the zero torque state. The sphere rotates at a rate much lower than the torque-free rotation rate. Free rotation is shown to have a negligible effect on the unsteady drag and lift forces.

Dielectric studies on self-associating nucleosides and bases in aqueous solution.

Measurments have been made of the dielectric properties of aqueous solutions in which aggregates are formed by stacking. The nucleosides cytidine, uridine and thymidine, and the bases purine, pyrimidine and 6-methylamino-9-methyl-purine (N6,N9-dimethyladenine) were investigated at around 1 MHz, where the static increments can be determined, and for cytidine, dimethyladenine, uridine and pyrimidine measurements were also made in the 100-2000 MHz range where the main relaxation of the solute dipoles is found. Whereas cytidine and purine show a positive static dielectric increment increasing linearly with concentration, dimethyladenine, uridine, thymidine and pyrimidine show a similar negative effect. Also, within the experimental accuracy, single relaxation times are found for the solute dispersions investigated. It is suggested that these relaxations correspond to the effects of free rotation of individual polar molecules in the plane of stacking. This phenomenon would also account for the linear variation of the dielectric increments with concentration. These increments are thought to be positive or negative due to the varying balance in the solutions between the loss of polarization due to displaced and "bound" water and the corresponding gain due to the polarity of the solute molecules.