Some MnIII-porphyrins with de-polymerization activity toward humic acid

Four Mn^III-porphyrin complexes, chloro(tetraphenylporphinato)Mn^III(1,6-diaminohexane), bromo(tetraphenylporphinato)Mn^III(1,6-diaminohexane), azido(tetraphenylporphinato)Mn^III(1,6-diaminohexane), and thiocyanato(tetraphenylporphinato)Mn^III(1,6-diaminohexane), have been synthesized. These complexes have been characterized using UV-Vis, IR, ESI-mass spectra, elemental analyses, magnetic susceptibility measurements, and conductivity measurement. The molar conductance values of these complexes in ethanol indicate non-electrolytes. The utility of these complexes in de-polymerization of coal using humic acid as the coal model has been tested by the optical density method.     

An improved progressive preconditioning method for steady non‐cavitating and sheet‐cavitating flows

An improved progressive preconditioning method for analyzing steady inviscid and laminar flows around fully wetted and sheet‐cavitating hydrofoils is presented. The preconditioning matrix is adapted automatically from the pressure and/or velocity flow‐field by a power‐law relation. The cavitating calculations are based on a single fluid approach. In this approach, the liquid/vapour mixture is treated as a homogeneous fluid whose density is controlled by a barotropic state law. This physical model is integrated with a numerical resolution derived from the cell‐centered Jameson's finite volume algorithm. The stabilization is achieved via the second‐and fourth‐order artificial dissipation scheme. Explicit four‐step Runge–Kutta time integration is applied to achieve the steady‐state condition. Results presented in the paper focus on the pressure distribution on hydrofoils wall, velocity profiles, lift and drag forces, length of sheet cavitation, and effect of the power‐law preconditioning method on convergence speed. The results show satisfactory agreement with numerical and experimental works of others. The scheme has a progressive effect on the convergence speed. The results indicate that using the power‐law preconditioner improves the convergence rate, significantly. Copyright © 2010 John Wiley & Sons, Ltd.     

On the usage of NURBS as interface representation in free‐surface flows

When simulating free‐surface flows using the finite element method, there are many cases where the governing equations require information which must be derived from the available discretized geometry. Examples are curvature or normal vectors. The accurate computation of this information directly from the finite element mesh often requires a high degree of refinement—which is not necessarily required to obtain an accurate flow solution. As a remedy and an option to be able to use coarser meshes, the representation of the free surface using non‐uniform rational B‐splines (NURBS) curves or surfaces is investigated in this work. The advantages of a NURBS parameterization in comparison with the standard approach are discussed. In addition, it is explored how the pressure jump resulting from surface tension effects can be handled using doubled interface nodes. Numerical examples include the computation of surface tension in a two‐phase flow as well as the computation of normal vectors as a basis for mesh deformation methods. For these examples, the improvement of the numerical solution compared with the standard approaches on identical meshes is shown. Copyright © 2011 John Wiley & Sons, Ltd.     

A least‐square weighted residual method for level set formulation

In this paper, a least‐square weighted residual method (LSWRM) for level set (LS) formulation is introduced to achieve interface capturing in two‐dimensional (2D) and three‐dimensional (3D) problems. An LSWRM was adopted for two semi‐discretized advection and reinitialization equations of the LS formulation. The present LSWRM provided good mathematical properties such as natural numerical diffusion and the symmetry of the resulting algebraic systems for the advection and reinitialization equations. The proposed method was validated by solving some 2D and 3D benchmark problems such as those involving a rotating slotted disk, the rotation of a slotted sphere, and a time‐reversed single‐vortex flow and a deformation problem of a spherical fluid. The numerical results were compared with those obtained from essentially non‐oscillatory type formulations and particle LS methods. Further, the proposed LSWRM for the LS formulation was coupled with a splitting finite element method code to solve the incompressible Navier–Stokes equations, and then, the collapse of a 3D broken dam flow was well simulated; in the simulation, the entrapping of air and the splashing of the surge front of water were reproduced. The mass conservation of the present method was found to be satisfactory during the entire simulation. Copyright © 2011 John Wiley & Sons, Ltd.     

Three‐dimensional computation for flow‐induced vibrations in in‐line and cross‐flow directions of a circular cylinder

We present numerical results for in‐line and cross‐flow vibrations of a circular cylinder, which is immersed in a uniform flow and is elastically supported by damper‐spring systems to compute vibrations of a rigid cylinder. In the case of a circular cylinder with a low Scruton number, it is well‐known that two types of self‐excited vibrations appear in the in‐line direction in the range of low reduced velocities. On the other hand, a cross‐flow vibration of the circular cylinder can be excited in the range of high reduced velocities. Therefore, we compute the flow‐induced vibrations of the circular cylinder in the wide range of the reduced velocities at low and high Scruton numbers and discuss about excitation mechanisms in the in‐line and cross‐flow directions. Copyright © 2011 John Wiley & Sons, Ltd.     

A vectorial algorithm with finite element method for prediction of powder segregation in metal injection molding

The design of the mold and the choice of the injection parameters for metal injection molding (MIM) is required to maintain homogeneity of the filled mixture. However, powder segregation is unavoidable in MIM because of the significant difference in densities of the metallic powder and the polymer binder. To achieve an effective prediction of segregation effect, a biphasic model based on mixture theory is employed. The viscous behaviors of each phase and the interaction coefficient between the flows of the two phases should be determined. The solution of two coupled Navier–Stokes equations results in a tremendous computation effort. The previous development of an explicit algorithm makes the biphasic simulation much faster than that of the classic methods. However, it is strongly desired to reduce or even eliminate the numerous global solutions for pressure fields at each time step. Hence, a new vectorial algorithm is proposed and developed to perform the simulation only by vectorial operations. It provides the anticipated efficiency in the simulation of biphasic modeling, and the advantage to use the classic elements of equal‐order interpolations. Some results produced by the two algorithms are compared with the experimental values to validate the new vectorial algorithm. Copyright © 2012 John Wiley & Sons, Ltd.     

The spherical-model limit in a random field

The spherical-model limitn of then-vector model in a random field, with either a statistically independent distribution or with long-range correlated random fields, is studied to demonstrate the correctness of the replica method in which then and replica limits limits are interchanged, provided the replica and thermodynamic limits are taken in the right order, in the case of long-range correlated random fields. A scaling form for the two-point correlation function relevant to the first-order phase transition below the lower critical dimensionality of the random system is also obtained.     

The wall theorem for elastic moduli

New expressions for the elastic moduli of a classical system are derived. They involve only the two-point correlation function and the derivative of the onepoint correlation function, both only on the boundary of the system. These expressions, valid for any interaction derivable from a potential, are proved from a mechanical point of view by generalizing the virial theorem of Clausius, and from a statistical point of view by a direct method that constitutes an alternative to Green's dilatation method.     

Accurate measurement of thermal expansion of solids between 77 K and 350 K by 3-terminal capacitance method

The construction of a three-terminal capacitance cell and a bath type cryostat to measure thermal expansion of solids in the temperature range 77 K to 350 K is described. Calculation of the thermal expansion coefficients by using spline approximation is discussed along with the various errors involved in the measurement. The capacitance cell is calibrated by using aluminium and germanium as standard reference materials. The cell has an accuracy of 4% in the measurement of thermal expansion coefficient and a resolution of 1 Å change in length of sample of length 1 cm.     

稀土分量的XRF法分析—熔珠粉末压薄片法

本法用50mg稀土氧化物样品,经四硼酸锂熔融后,粉碎压成薄片,以透空照射法,直接测定15项稀土分量和铀、钍。本法消除基体效应好,制样精度高,测定含量范围宽。