A computational model of coupled heat and moisture transfer with phase change in granular sugar during varying environmental conditions

As part of a comprehensive effort to predict the development of caking in granular materials, a mathematical model is introduced to model simultaneous heat and moisture transfer with phase change in porous media when undergoing temperature oscillations/cycling. The resulting model partial differential equations were solved using finite-volume procedures in the context of the PHYSICA framework and then applied to the analysis of sugar in storage. The influence of temperature on absorption/desorption and diffusion coefficients is coupled into the transport equations. The temperature profile, the depth of penetration of the temperature oscillation into the bulk solid, and the solids moisture content distribution were first calculated, and these proved to be in good agreement with experimental data. Then, the influence of temperature oscillation on absolute humidity, moisture concentration, and moisture migration for different parameters and boundary conditions was examined. As expected, the results show that moisture near boundary regions responds faster than farther away from them with surface temperature changes. The moisture absorption and desorption in materials occurs mainly near boundary regions (where interactions with the environment are more pronounced). Small amounts of solids moisture content, driven by both temperature and vapour concentration gradients, migrate between boundary and center with oscillating temperature.

Numerical simulation of free surface behaviour of a molten liquid metal droplet with and without electromagnetic induction

Electromagnetic levitation of electrically conductive droplets by alternating magnetic fields is a technique used to measure the physical properties of liquid metallic alloys such as surface tension or viscosity. Experiments can be conducted under terrestrial conditions or in microgravity, to reduce electromagnetic stirring and shaping of the droplet. Under such conditions, the time-dependent behaviour of a point of the free surface is recorded. Then the signal is analysed considering the droplet as a harmonic damped oscillator. We use a spectral code, for fluid flow and free surface descriptions, to check the validity of this assumption for two cases. First when the motion inside the droplet is generated by its initial distortion only and second, when the droplet is located in a uniform magnetic field originating far from the droplet. It is found that some deviations exist which can lead to an overestimate of the value of viscosity.

Determining surface tension using DC magnetic levitation

The values of material physical properties are vital for the successful use of numerical simulations for electromagnetic processing of materials. The surface tension of materials can be determined from the experimental measurement of the surface oscillation frequency of liquid droplets. In order for this technique to be used, a positioning field is required that results in a modification to the oscillation frequency. A number of previous analytical models have been developed that mainly focus on electrically conducting droplets positioned using an A.C. electromagnetic field, but due to the turbulent flow resulting from the high electromagnetic fields required to balance gravity, reliable measurements have largely been limited to microgravity. In this work axisymmetric analytical and numerical models are developed, which allow the surface tension of a diamagnetic droplet positioned in a high DC magnetic field to be determined from the surface oscillations. In the case of D.C. levitation there is no internal electric currents with resulting Joule heating, Marangoni flow and other effects that introduce additional physics that complicates the measurement process. The analytical solution uses the linearised Navier-Stokes equations in the inviscid case. The body force from a DC field is potential, in contrast to the AC case, and it can be derived from Maxwell equations giving a solution for the magnetic field in the form of a series expansion of Legendre polynomials. The first few terms in this expansion represent a constant and gradient magnetic field valid close to the origin, which can be used to position the droplet. Initially the mathematical model is verified in microgravity conditions using a numerical model developed to solve the transient electromagnetics, fluid flow and thermodynamic equations. In the numerical model (as in experiment) the magnetic field is obtained using electrical current carrying coils, which provides the confinement force for a liquid droplet. The model incorporates free surface deformation to accurately model the oscillations that result from the interaction between the droplet and the non-uniform external magnetic field. A comparison is made between the analytical perturbation theory and the numerical pseudo spectral approximation solutions for small amplitude oscillations.

Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization

The surface-enhanced Raman scattering (SERS) spectra of rhodanine adsorbed on silver nanoparticles have been examined using 514.5 and 632.8 nm excitation. There is evidence that, under the experimental conditions used, rhodanine undergoes a nanoparticle surface-induced reaction resulting in the formation of a dimeric species via the active methylene group in a process which is analogous to the Knoevenagel reaction. The experimental observations are supported by DFT calculations at the B3-LYP/cc-pVDZ level. Calculated energies for the interaction of the E and Z isomers of the dimers of rhodanine with silver nanoparticles support a model in which the (intra-molecular hydrogen bonded) E isomer dimer is of lower energy than the Z isomer. A strong band, at 1566 cm(-1), in the SERS spectrum of rhodanine is assigned to the nu(C=C) mode of the dimer species.