Effects of Temperature and Grain Size on Diffusivity of Aluminium: Electromigration Experiment and Molecular Dynamic Simulation

Understanding the atomic diffusion features in metallic material is significant to explain the diffusion-controlled physical processes. In this paper, using electromigration experiments and molecular dynamic (MD) simulations, we investigate the effects of grain size and temperature on the self-diffusion of polycrystalline aluminum (Al). The mass transport due to electromigration are accelerated by increasing temperature and decreasing grain size. Magnitudes of effective diffusivity (Deff) and grain boundary diffusivity (DGBs) are experimentally determined, in which the Deff changes as a function of grain size and temperature, but DGBs is independent of the grain size, only affected by the temperature. Moreover, MD simulations of atomic diffusion in polycrystalline Al demonstrate those observations from experiments. Based on MD results, the Arrhenius equation of DGBs and empirical formula of the thickness of grain boundaries at various temperatures are obtained. In total, Deff and DGBs obtained in the present study agree with literature results, and a comprehensive result of diffusivities related to the grain size is presented.

Mathematical modeling and thermodynamic properties in the drying of citron watermelon seeds

ABSTRACT Citron watermelon is an agricultural product of excellent economic potential. Its seeds are widely used for oil extraction, serving as an energy source, showing nutritional characteristics that make them a suitable product to be studied. Thus, the objective was to characterize citron watermelon seeds regarding their physicochemical composition, in addition to determining drying kinetics, fitting mathematical models to the data, and determining the effective diffusivity coefficients and thermodynamic properties. The seeds were dried in a convective dryer, varying the drying temperature, with air velocity of 1.0 m s-1. With the increase in drying temperature, there were reductions in moisture content, water activity (aw), ash concentration, total titratable acidity, lipids and reducing sugar. Citron watermelon seeds are rich in lipids and ash, have low sugar concentration and low acidity; their drying kinetics was very well described by the Two Terms and Approximation of Diffusion models, followed by the models of Midilli and Page, which resulted in acceptable fits. Effective diffusivity accompanied the increase in drying temperature, and this behavior was well fitted by an Arrhenius-type equation. Enthalpy and entropy variations were reduced with drying temperature, with increments in Gibbs free energy.

A modified shrinking core model for microwave-assisted leaching of aluminum from peat clay

Aluminum oxide in peat clay has the potential to be used as a catalyst, coagulant, and adsorbent for the water treatment process. The usefulness of aluminum oxide in peat clay is enhanced by the leaching process. Aluminum was leached from peat clay in a variety of microwave power, HCl concentrations, and particle size. The effect of the microwave leaching parameters on the aluminum leaching rate was observed. The shrinking core (SC) model used in microwave-assisted leaching was assumed a pseudo steady state with chemical reactions. Effective diffusivity (De), mass transfer coefficient (kc), and reaction rate constants (k) are used as fitting parameters. The best fitting parameters De, kc , and k obtained 0.0049 cm2/s, 2.49 cm/s, and 10.5 cm/s, respectively. The comparison of experimental data and model calculations shown that the SC model can describe experimental data well for all microwave-assisted leaching conditions. Precious information on the results of this research can be given for the goal of the scaling-up and design of the microwave assisted leaching process.

A homogenised model for flow, transport and sorption in a heterogeneous porous medium

A major challenge in flow through porous media is to better understand the link between microstructure and macroscale flow and transport. For idealised microstructures, the mathematical framework of homogenisation theory can be used for this purpose. Here, we consider a two-dimensional microstructure comprising an array of obstacles of smooth but arbitrary shape, the size and spacing of which can vary along the length of the porous medium. We use homogenisation via the method of multiple scales to systematically upscale a novel problem involving cells of varying area to obtain effective continuum equations for macroscale flow and transport. The equations are characterised by the local porosity, a local anisotropic flow permeability, an effective local anisotropic solute diffusivity and an effective local adsorption rate. These macroscale properties depend non-trivially on the two degrees of microstructural geometric freedom in our problem: obstacle size and obstacle spacing. We exploit this dependence to construct and compare scenarios where the same porosity profile results from different combinations of obstacle size and spacing. We focus on a simple example geometry comprising circular obstacles on a rectangular lattice, for which we numerically determine the macroscale permeability and effective diffusivity. We investigate scenarios where the porosity is spatially uniform but the permeability and diffusivity are not. Our results may be useful in the design of filters or for studying the impact of deformation on transport in soft porous media.

Characterisation of the Antarctic stratospheric vortex mixing barrier

<p>The strongest stratospheric circulation in the Southern Hemisphere is the Antarctic Circumpolar Vortex (ACV) which forms each winter and spring as a zone of westerly winds surrounding Antarctica, presenting a barrier to transport of air masses between middle and high-latitudes. This barrier contributes to stratospheric temperatures above the polar region dropping sufficiently low in spring to allow for the processes leading to ozone destruction. Unfortunately, the ACV is generally not well simulated in Global Climate Models (GCMs), and this presents a challenge for model accuracy and projections in the face of a changing climate and a recovering ozone hole. In this research, an assessment is made of the performance of a range of mixing metrics in representing the ACV based on reanalyses, including: Effective Diffusivity, Contour Crossing, the Lagrangian function $M$, and Meridional Impermeability. It is shown that Meridional Impermeability -- which provides a measure of the strength of the meridional mixing barrier as a function of potential vorticity (PV) gradient and wind-speed -- acts as a useful proxy for more complex metrics. In addition, Meridional Impermeability displays a well-defined vortex profile across equivalent latitude, which is not seen to the same degree in the other metrics assessed. Representation of the ACV is further compared between climate models and reanalyses based on Meridional Impermeability. It is shown that while climate models have improved in their representation of the vortex barrier over time, there are still significant discrepancies between models and reanalyses. One cause of these discrepancies may result from the use of prescribed ozone fields rather than interactive ozone chemistry. This is further examined by comparing Chemistry Climate Model (CCM) simulations using interactive ozone chemistry, with those using prescribed ozone at either 3-D (i.e., height, latitude and longitude) or 2-D (i.e., height, latitude) dimensionality. Considerable improvement in the representation of the ACV can be achieved by shifting from 2-D to 3-D prescribed ozone fields, and interactive ozone chemistry further improves its representation. However, discrepancies in model representation of the ACV still remain. Previous researchers have also attributed discrepancies in model representation of the polar vortices to the model resolution, and the parameterization of gravity waves at the sub-grid scale -- these factors are considered to contribute to the discrepancies found in simulations undertaken here also. The results of this research are expected to provide guidance to improve the representation of vortex processes in climate modelling.</p>

Characterisation of the Antarctic stratospheric vortex mixing barrier

<p>The strongest stratospheric circulation in the Southern Hemisphere is the Antarctic Circumpolar Vortex (ACV) which forms each winter and spring as a zone of westerly winds surrounding Antarctica, presenting a barrier to transport of air masses between middle and high-latitudes. This barrier contributes to stratospheric temperatures above the polar region dropping sufficiently low in spring to allow for the processes leading to ozone destruction. Unfortunately, the ACV is generally not well simulated in Global Climate Models (GCMs), and this presents a challenge for model accuracy and projections in the face of a changing climate and a recovering ozone hole. In this research, an assessment is made of the performance of a range of mixing metrics in representing the ACV based on reanalyses, including: Effective Diffusivity, Contour Crossing, the Lagrangian function $M$, and Meridional Impermeability. It is shown that Meridional Impermeability -- which provides a measure of the strength of the meridional mixing barrier as a function of potential vorticity (PV) gradient and wind-speed -- acts as a useful proxy for more complex metrics. In addition, Meridional Impermeability displays a well-defined vortex profile across equivalent latitude, which is not seen to the same degree in the other metrics assessed. Representation of the ACV is further compared between climate models and reanalyses based on Meridional Impermeability. It is shown that while climate models have improved in their representation of the vortex barrier over time, there are still significant discrepancies between models and reanalyses. One cause of these discrepancies may result from the use of prescribed ozone fields rather than interactive ozone chemistry. This is further examined by comparing Chemistry Climate Model (CCM) simulations using interactive ozone chemistry, with those using prescribed ozone at either 3-D (i.e., height, latitude and longitude) or 2-D (i.e., height, latitude) dimensionality. Considerable improvement in the representation of the ACV can be achieved by shifting from 2-D to 3-D prescribed ozone fields, and interactive ozone chemistry further improves its representation. However, discrepancies in model representation of the ACV still remain. Previous researchers have also attributed discrepancies in model representation of the polar vortices to the model resolution, and the parameterization of gravity waves at the sub-grid scale -- these factors are considered to contribute to the discrepancies found in simulations undertaken here also. The results of this research are expected to provide guidance to improve the representation of vortex processes in climate modelling.</p>

Mathematical modeling and multivariate analysis applied earliest soybean harvest associated drying and storage conditions and influences on physicochemical grain quality

Anticipating the harvest period of soybean crops can impact on the post-harvest processes. This study aimed to evaluate early soybean harvest associated drying and storage conditions on the physicochemical soybean quality using of mathematical modeling and multivariate analysis. The soybeans were harvested with a moisture content of 18 and 23% (d.b.) and subjected to drying in a continuous dryer at 80, 100, and 120 °C. The drying kinetics and volumetric shrinkage modeling were evaluated. Posteriorly, the soybean was stored at different packages and temperatures for 8 months to evaluate the physicochemical properties. After standardizing the variables, the data were submitted to cluster analysis. For this, we use Euclidean distance and Ward's hierarchical method. Then defining the groups, we constructed a graph containing the dispersion of the values of the variables and their respective Pearson correlations for each group. The mathematical models proved suitable to describe the drying kinetics. Besides, the effective diffusivity obtained was 4.9 × 10–10 m2 s−1 promoting a volumetric shrinkage of the grains and influencing the reduction of physicochemical quality. It was observed that soybean harvested at 23% moisture, dried at 80 °C, and stored at a temperature below 23 °C maintained its oil content (25.89%), crude protein (35.69%), and lipid acidity (5.54 mL). In addition, it is to note that these correlations' magnitude was substantially more remarkable for the treatments allocated to the G2 group. Furthermore, the electrical conductivity was negatively correlated with all the physicochemical variables evaluated. Besides this, the correlation between crude protein and oil yield was positive and of high magnitude, regardless of the group formed. In conclusion, the early harvest of soybeans reduced losses in the field and increased the grain flow on the storage units. The low-temperature drying and the use of packaging technology close to environmental temperatures conserved the grain quality.

Mathematical models to describe the drying process of Moringa oleifera leaves in a convective-air dryer

Drying kinetics of Malaysian Moringa oleifera leaves was investigated using a convective-air dryer. The drying parameters were: temperature (40, 50, 60, 70 °C), air velocity (1.3 m s^–1, 1.7 m s^–1). The drying process took place in the falling rate period and there was an absence of a constant rate period in this experiment. Six mathematical models (Lewis, Henderson and Pabis, Wang and Singh, Peleg, Page, and logarithmic) were selected for the description of drying characteristics of the leaves. The Wang and Singh model was determined as the best model based on the highest overall coefficient determinant (R²) and the lowest overall root mean square error (RMSE). The effective diffusivity (D_eff) was also calculated which was in the range of 3.98 × 10^–11 m² s^–1 to 1.74 × 10^–10 m² s^–1.An Arrhenius relation was constructed to determine the activation energy for the samples in the convective air dryer. The activation energy for M. oleifera leaves was 39.82 kJ mol^–1 and 33.13 kJ mol^–1 at drying velocities of 1.3 m s^–1 and 1.7 m s^–1, respectively.