O2 activation by bis(imino)pyridine iron(II)-thiolate complexes

The new iron(II)-thiolate complexes [((iPr)BIP)Fe(II)(SPh)(Cl)] (1) and [((iPr)BIP)Fe(II)(SPh)(OTf)] (2) [BIP = bis(imino)pyridine] were prepared as models for cysteine dioxygenase (CDO), which converts Cys to Cys-SO(2)H at a (His)(3)Fe(II) center. Reaction of 1 and 2 with O(2) leads to Fe-oxygenation and S-oxygenation, respectively. For 1 + O(2), the spectroscopic and reactivity data, including (18)O isotope studies, are consistent with an assignment of an iron(IV)-oxo complex, [((iPr)BIP)Fe(IV)(O)(Cl)](+) (3), as the product of oxygenation. In contrast, 2 + O(2) results in direct S-oxygenation to give a sulfonato product, PhSO(3)(-). The positioning of the thiolate ligand in 1 versus 2 appears to play a critical role in determining the outcome of O(2) activation. The thiolate ligands in 1 and 2 are essential for O(2) reactivity and exhibit an important influence over the Fe(III)/Fe(II) redox potential.     

Effects of partial slip on entropy generation and MHD combined convection in a lid-driven porous enclosure saturated with a Cu–water nanofluid

Journal of Thermal Analysis and Calorimetry - In this work, the influences of heat generation/absorption and nanofluid volume fraction on the entropy generation and MHD combined convection heat...     

Radiation effects on mixed convection about a cone embedded in a porous medium filled with a nanofluid

The problem of steady, laminar, mixed convection boundary-layer flow over a vertical cone embedded in a porous medium saturated with a nanofluid is studied, in the presence of thermal radiation. The model used for the nanofluid incorporates the effects of Brownian motion and thermophoresis with Rosseland diffusion approximation. The cone surface is maintained at a constant temperature and a constant nanoparticle volume fraction. The resulting governing equations are non-dimensionalized and transformed into a non-similar form and then solved by Keller box method. A comparison is made with the available results in the literature, and our results are in very good agreement with the known results. A parametric study of the physical parameters is made and a representative set of numerical results for the local Nusselt and Sherwood numbers are presented graphically. Also, the salient features of the results are analyzed and discussed.     

粘弹性流体流经竖直表面时的瞬时自然对流

静止流体中,在一个竖直的、不可渗透的等温表面附近,研究粘弹性边界层的流动及其热传导.得到其控制方程,并利用MackCormak技术对其进行数值求解.与先前发表的关于该问题特例的结果相比较,有着很好的一致性.对于不同的粘弹性参数值,图示了速度和温度分布、边界层厚度、Nusselt数、局部摩擦因数等典型结果.一般而言,粘弹性流体与Newton流体相比较,由于拉应力的促进作用,流体动力边界层里的速度是增加的,热边界层里的温度是下降的.粘弹性参数值越高,摩擦因数和传热系数越高.     

Fully-developed free-convective flow of micropolar and viscous fluids in a vertical channel

The problem of fully-developed laminar free-convection flow in a vertical channel is studied analytically with one region filled with micropolar fluid and the other region with a viscous fluid. Using the boundary and interface conditions proposed by previous investigators, analytical expressions for linear velocity, micro-rotation velocity and temperature have been obtained. Numerical results are presented graphically for the distribution of velocity, micro-rotation velocity and temperature fields for varying physical parameters such as the ratio of Grashof number to Reynolds number, viscosity ratio, width ratio, conductivity ratio and micropolar fluid material parameter. It is found that the effect of the micropolar fluid material parameter suppress the velocity whereas it enhances the micro-rotation velocity. The effect of the ratio of Grashof number to Reynolds number is found to enhance both the linear velocity and the micro-rotation velocity. The effects of the width ratio and the conductivity ratio are found to enhance the temperature distribution.     

Effect of suction/injection on free convection along a vertical plate in a nanofluid saturated non-Darcy porous medium with internal heat generation

The effect of internal heat generation on free convection along a vertical plate embedded in a nanofluid saturated non-Darcy porous medium in the presence of suction/injection is analyzed. The non-linear governing equations and their associated boundary conditions are initially cast into dimensionless forms by non-dimensional variables. The resulting equations are solved numerically by an accurate, implicit, iterative finite-difference methodology and the obtained results are compared favorably with previously published work. A parametric study is performed to illustrate influence of the temperature exponent, non-Darcy, suction/injection, Brownian motion and thermophoresis parameters on the profiles of the velocity components, temperature and nanoparticle volume fraction. The numerical data for the heat and nanoparticle mass transfer rates have been tabulated for various parametric conditions.     

Transient free convection flow of a viscoelastic fluid over vertical surface

In this paper, the viscoelsatic boundary layer flow and the heat transfer near a vertical isothermal impermeable surface and in a quiescent fluid are examined. The gov-erning equations are formulated and solved numerically using MackCormak’s technique. The results show excellent agreement with previously published results by a compari-sion. Representative results for the velocity and temperature profiles, boundary layer thicknesses, Nusselt numbers, and local skin friction coefficients are shown graphically for different values of viscoelsatic parameters. In general, it is found that the velocities increase inside the hydrodynamic boundary layers and the temperatures decrease inside the thermal boundary layers for the viscoelsatic fluid as compared with the Newtonian fluid due to favorable tensile stresses. Consequently, the coefficients of friction and heat transfer enhance for higher viscoelsatic parameters.     

Mixed convection flow in a lid-driven inclined square enclosure filled with a nanofluid

This work is focused on the numerical modeling of steady laminar mixed convection flow in a lid-driven inclined square enclosure filled with water–Al₂O₃ nanofluid. The left and right walls of the enclosure are kept insulated while the bottom and top walls are maintained at constant temperatures with the top surface being the hot wall and moving at a constant speed. The developed equations are given in terms of the stream function–vorticity formulation and are non-dimensionalized and then solved numerically subject to appropriate boundary conditions by a second-order accurate finite-volume method. Comparisons with previously published work are performed and found to be in good agreement. A parametric study is conducted and a set of graphical results is presented and discussed to illustrate the effects of the presence of nanoparticles and enclosure inclination angle on the flow and heat transfer characteristics. It is found that significant heat transfer enhancement can be obtained due to the presence of nanoparticles and that this is accentuated by inclination of the enclosure at moderate and large Richardson numbers.