Heat transfer in granular materials: effects of nonlinear heat conduction and viscous dissipation

In this paper, we study the heat transfer in a one‐dimensional fully developed flow of granular materials down a heated inclined plane. For the heat flux vector, we use a recently derived constitutive equation that reflects the dependence of the heat flux vector on the temperature gradient, the density gradient, and the velocity gradient in an appropriate frame invariant formulation. We use two different boundary conditions at the inclined surface: a constant temperature boundary condition and an adiabatic condition. A parametric study is performed to examine the effects of the material dimensionless parameters. The derived governing equations are coupled nonlinear second‐order ordinary differential equations, which are solved numerically, and the results are shown for the temperature, volume fraction, and velocity profiles. Copyright © 2013 John Wiley & Sons, Ltd.     

Evolution of local atomic structure in a melt-spun Ni25Ti50Cu25 shape memory alloy during crystallization

The local atomic environment of a melt-spun Ni₂₅Ti₅₀Cu₂₅ amorphous alloy and bond evolution during crystallization were studied by extended X-ray absorption fine structure (EXAFS) spectroscopy and differential scanning calorimetry. In the amorphous alloy, the interatomic distances of Ni–Ti and Cu–Ti are distinct from Ti–Ti and can be indicative of the formation of two types of dominant polyhedra or distorted polyhedral clusters centered with Ni and Cu, with the majority of shell atoms being Ti. The overall increase in the coordination numbers of Ni, Ti, and Cu by crystallization and evidence for structural relaxation suggest that the melt-spun ribbon contains a combination of ordered structures and free volume prior to the heat treatment. Copper and nickel are co-located as their absorption spectra are similar. Although crystallization occurs rapidly (within 4?min at 500 °C), the local atomic environment change persists at longer annealing durations (up to 10?min). An increase in the Ti–Ti and Cu–Cu homo-bond fractions at short and intermediate annealing times suggests that these species segregate between Cu-rich and Cu-poor phases. Crystallization continues through a short-range Ti and Cu diffusion-dominated process, as the near-neighbor structures of Ti and Cu change considerably more than for Ni during annealing. This homogenizes the microstructure followed by possible precipitation of a TiCu compound.     

Theoretical study on the molecular tautomerism of the 3-hydroxy-pyridin-4-one system

3-hydroxy-pyridin-4-one is a parent molecule for the family of hydroxypyridinones that are known in coordination chemistry as efficient metal ions chelators. In this work, relative stabilities of some possible tautomers were investigated using several quantum chemical methods: CBS (complete basis set methods), Gn, DFT (density functional theory), Hartree–Fock and MP2. Performed calculations show that the system under consideration exists as a mixture of two tautomers with comparable energies. Among them, the hydroxypyridinone structure of the studied molecular system seems to be a bit more stable than the o-dihydroxypyridine one, by a few kJ/mol only. Aromaticity and intra-molecular hydrogen bonding are the main effects influencing the stability of the studied tautomeric structures. Consequently, aromatic effects were calculated using several indices of aromaticity: HOMA (harmonic oscillator model of aromaticity), NICS (nucleus independent chemical shift), H, PDI (para delocalisation index), MCI (multi-centre index) and ASE (aromatic stabilisation energy). The strength of possible intra-molecular hydrogen bonds (H-bonds) was determined by means of the AIM (atoms-in-molecules) method and by calculating enthalpies for theoretical reactions that do or do not involve H-bonds. The AIM method was employed to understand how variations in atomic energies influence the stability of different tautomeric structures.     

Perturbation theory based direct correlation function for fluids with hard core potentials

Using second-order Barker–Henderson perturbation theory we are able to derive an explicit expression for the direct correlation function of fluids with hard core potentials. Using the obtained direct correlation function, one can explicitly calculate all thermodynamic properties of simple fluids with hard core potentials. Comparisons with computer simulation data show good agreement for both thermodynamic properties and the static structure factor of the hard core double Yukawa potential.     

Calculation of the rate constant for the ultrasonic degradation of aqueous solutions of polyvinyl alcohol by viscometry

Ultrasonic degradation of polyvinyl alcohol (PVA) was carried out in aqueous solution at 25 degrees C. In this experiment, the effect of solution concentration on the rate of degradation was investigated. Kinetics of degradation was studied by viscometry method. The calculated rate constants indicate that degradation rate of PVA solutions decreases with increasing of solution concentration (C= g lit(-1)). The calculated rate constants correlated in terms of reverse concentration and relative viscosity of PVA solutions. This behavior in the rate of degradation was interpreted in terms of viscosity and concentration of polymer solution. With increasing solution concentration, viscosity increases and it causes a reduction in the cavitation efficiency thus, the rate of degradation will be decreased.     

Effect of cylinder proximity to the wall on channel flow heat transfer enhancement

Heat-transfer enhancement in a uniformly heated slot mini-channel due to vortices shed from an adiabatic circular cylinder is numerically investigated. The effects of gap spacing between the cylinder and bottom wall on wall heat transfer and pressure drop are systemically studied. Numerical simulations are performed at Re=100$\mathit{Re}=100$, 0.1?Pr?10$0.1?\mathrm{Pr}?10$ and a blockage ratio of D/H=1/3$D/H=1/3$. Results within the thermally developing flow region show heat transfer augmentation compared to the plane channel. It was found that when the obstacle is placed in the middle of the duct, maximum heat transfer enhancement from channel walls is achieved. Displacement of circular cylinder towards the bottom wall leads to the suppression of the vortex shedding, the establishment of a steady flow and a reduction of both wall heat transfer and pressure drop. Performance analysis indicates that the proposed heat transfer enhancement mechanism is beneficial for low-Prandtl-number fluids.     

Variants of the optimised random phase approximation: from one direct correlation function to many different radial distribution functions

It is shown that there are an infinite number of radial distribution functions (RDFs), corresponding to only one direct correlation function (DCF) of the optimised random phase approximation (ORPA). This observation in the thermodynamic perturbation theory is in sharp contrast to that of integral equation theories in which they uniquely correspond. By devising a new method we will be able to introduce various perturbation theories of simple liquids all coming from one DCF. Among all, we will only present analytically seven variants of the ORPA in the thermodynamic perturbation theory of liquids. The DCF of hard-core potential for all variants is assumed to be the same as the ORPA. However, interestingly enough the resulted expressions for the Helmholtz free energies and the RDF are obtained very differently. Furthermore, the resulted thermodynamic properties come out somehow the same, whereas the structural functions of some variants are found to behave much better than the standard ORPA.     

Multi‐component reaction‐functionalized chitosan complexed with copper nanoparticles: An efficient catalyst toward A3 coupling and click reactions in water

A novel bio‐nanocomposite nanocatalyst with highly dispersed particles is synthesized through covalent functionalization of chitosan biopolymer by the multicomponent reaction (MCR) strategy. Surface functionalization of chitosan through MCR is led to the grafting of carboxamide type ligands with a high affinity toward complexation with copper nanoparticles. The catalytic activity of the synthesized catalyst was explored in various transformations such as A³ coupling and click reactions in water. Reusability and non‐hazardous nature of the catalyst, mild reaction conditions, operational simplicity, high yielding, and using water as a solvent are the main advantages of this catalytic protocol.     

Numerical simulation of a Trombe wall to predict the energy storage rate and time duration of room heating during the non-sunny periods

In this paper, 2D numerical simulation of the Trombe wall performance and indoor air environment under unsteady state condition for a room located in Yazd, Iran are studied. The governing equations involve mass, momentum and energy conservation, which are discretized by the finite volume method after non-dimensionalization. The SIMPLER algorithm is used for coupling the velocity and pressure. The average absorbed solar radiation on the Trombe wall has been defined for different hours of the coldest period of the year (21 January–19 February) in Yazd. All equations have been solved together using a FORTAN code. The main aim of this research is to investigate the time duration of room heating during the non-sunny periods. The stored energy of the wall being delivered to the inside room was defined for different materials of the Trombe wall. The results show that the Trombe wall made of paraffin wax can keep the room warmer in comparison with other materials for about 9 h.