An investigation on the influence of the shape of the vortex generator on fluid flow and turbulent heat transfer of hybrid nanofluid in a channel

Journal of Thermal Analysis and Calorimetry - The purpose of this study is to numerically investigate flow field and turbulent heat transfer of hybrid nanofluid, water–DWCNT–TiO2 in a...     

Computational design of new organic (D–π–A) dyes based on benzothiadiazole for photovoltaic applications,especially dye-sensitized solar cells

Research on Chemical Intermediates - A theoretical study on four organic dyes based on bis(4-hexyloxy)triphenylamine as donor and electron acceptor cyanoacrylic acid with a...     

Evaluation of singular integrals for anisotropic elastic boundary element analysis

To improve the numerical evaluation of weakly singular integrals appearing in the boundary element method, a logarithmic Gaussian quadrature formula is usually suggested in the literature. In this formula the singular function is expressed in terms of the distance between source point and field point, which is a real variable. When an anisotropic elastic solid is considered, most of the existing fundamental solutions are written in terms of complex variables. When the problems with holes, cracks, inclusions, or interfaces are considered, to suit for the shape of the boundaries usually a mapping function is introduced and then the solutions are expressed in terms of mapped complex variables. To deal with the trouble induced by the complex variables, in this study through proper change of variables we develop a simple way to improve the evaluation of weakly singular integrals, especially for the problems of anisotropic elastic solids containing holes, cracks, inclusions, or interfaces. By simple matrix expansion, the proposed method is extended to the problems with piezoelectric or magneto-electro-elastic solids. By using the dual reciprocity method, the proposed method employed for the elastostatic fundamental solution can also be applied to the elastodynamic analysis.     

Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study

The accumulated knowledge regarding molecular architectures is based on established, reliable, and accessible analytical tools that provide robust structural and functional information on assemblies. However, both the dynamicity and low population of noncovalently interacting moieties within studied molecular systems limit the efficiency and accuracy of traditional methods. Herein, the use of a saturation transfer-based NMR approach to study the dynamic binding characteristics of an anion to a series of synthetic receptors derived from bambusuril macrocycles is demonstrated. The exchange rates of BF₄⁻ are mediated by the side chains on the receptor (100 s⁻¹<k_ex<5000 s⁻¹), which play a critical role in receptor-anion binding dynamics. The signal amplification obtained with this approach allows for the identification of different types of intermolecular interactions between the receptor and the anion, something that could not have been detected by techniques hitherto used to study molecular assemblies. These findings, which are supported by a computational molecular dynamic study, demonstrate the uniqueness and added value of this NMR method.     

Effects of boron and barium dopants on VMgO catalysts employed in the oxidative dehydrogenation of n-octane

Kinetics and Catalysis - Boron and barium were employed as dopants for the VMgO system. The catalysts were characterized by ICP-OES, BET, IR, powder XRD, EDX, TPR-H2, TPD-NH3, XPS, and 51V MAS NMR....