arXiv subjects

Timothy G. Myers

Publications and source records attributed to Timothy G. Myers.

9 recordsLinked to original sources

arXiv2024

Modelling large mass removal in adsorption columns

A mathematical model is developed to describe column adsorption when the contaminant constitutes a significant amount of the fluid. This requires modelling the variation of pressure and velocity, in addition to the usual advection-diffusion-adsorption and kinetic equations describing concentration and adsorption rates. The model builds on previous work based on a linear kinetic equation, to include both physical and chemical adsorption. A semi-analytical solution is developed and validated against a numerical solution. The model is tested against experimental data for the adsorption of large quantities of CO$_2$ from a helium mixture, with a CO$_2$ volume fraction ranging from 14% to 69%, and a N$_2$ mixture with 16% to 33% CO$_2$ volume fraction. Our results show a significant improvement with respect to models for the removal of trace amounts of contaminant.

physics.flu-dyn↗

arXiv2023

An analytical investigation into solute transport and sorption via intra-particle diffusion in the dual-porosity limit

We develop a mathematical model for adsorption based on averaging the flow around, and diffusion inside, adsorbent particles in a column. The model involves three coupled partial differential equations for the contaminant concentration both in the carrier fluid and within the particle as well as the adsorption rate. The adsorption rate is modelled using the Sips equation, which is suitable for describing both physical and chemical adsorption mechanisms. Non-dimensionalisation is used to determine the controlling parameter groups as well as to determine negligible terms and so reduce the system complexity. The inclusion of intra-particle diffusion introduces new dimensionless parameters to those found in standard works, including a form of internal Damköhler number and a new characteristic time scale. We provide a numerical method for the full model and show how in certain situations a travelling wave approach can be utilized to find analytical solutions. The model is validated against available experimental data for the removal of Mercury(II) and CO$_\text{2}$. The results show excellent agreement with measurements of column outlet contaminant concentration and provide insights into the underlying chemical reactions.

cond-mat.other↗

arXiv2022

Modelling mass transfer from a packed bed by fluid extraction

A mathematical model describing the erosion or leaching of a solid material by a flowing fluid in a column is developed. This involves an advection-diffusion equation coupled to a linear kinetic reaction describing the mass transfer between the solid and fluid. Two specific cases are analysed, the first where the extracted material has the same saturation solubility and rate of mass transfer throughout the process, the second where the solubility switches after a certain amount of erosion. In the first case there are only two model unknowns, the solubility and mass transfer coefficient, in the second there is a third unknown, the second solubility. Exploiting the fact that erosion is a slow process (relative to the flow rate) a perturbation solution based on the smallness of the amount removed is developed to describe the concentration and radius throughout the column. From this an analytical expression for the extracted fraction is obtained. The extracted fraction has a large linear section which results in a simple calculation to estimate the initial solubility from a very few or even a single data point. The remaining unknowns may also be easily calculated from the formula and later data points. A numerical solution, using finite differences, is developed to verify the perturbation solution. The analytical solution is also verified against experimental data for the removal of lanolin from wool fibres with a supercritical CO$_\text{2}$/ethanol solvent. Values for the mass transfer rate and two solubilities are obtained for different pressures and shown to provide excellent agreement with a series of experimental results for the extracted fraction.

cond-mat.other↗

arXiv2019

Asymptotic reduction of a porous electrode model for lithium-ion batteries

We present a porous electrode model for lithium-ion batteries using Butler--Volmer reaction kinetics. We model lithium concentration in both the solid and fluid phase along with solid and liquid electric potential. Through asymptotic reduction, we show that the electric potentials are spatially homogeneous which decouples the problem into a series of time-dependent problems. These problems can be solved on three distinguished time scales, an early time scale where capacitance effects in the electrode dominate, a mid-range time scale where a spatial concentration gradient forms in the electrolyte, and a long-time scale where each of the electrodes saturate and deplete with lithium respectively. The solid-phase concentration profiles are linear functions of time and the electrolyte potential is everywhere zero, which allows the model to be reduced to a system of two uncoupled ordinary differential equations. Analytic and numerical results are compared with full numerical simulations and experimental discharge curves demonstrating excellent agreement.

physics.app-ph↗

arXiv2019

The one-dimensional Stefan problem with non-Fourier heat conduction

We investigate the one-dimensional growth of a solid into a liquid bath, starting from a small crystal, using the Guyer-Krumhansl and Maxwell-Cattaneo models of heat conduction. By breaking the solidification process into the relevant time regimes we are able to reduce the problem to a system of two coupled ordinary differential equations describing the evolution of the solid-liquid interface and the heat flux. The reduced formulation is in good agreement with numerical simulations. In the case of silicon, differences between classical and non-classical solidification kinetics are relatively small, but larger deviations can be observed in the evolution in time of the heat flux through the growing solid. From this study we conclude that the heat flux provides more information about the presence of non-classical modes of heat transport during phase-change processes.

cond-mat.mes-hall↗

arXiv2019

The Stefan problem with variable thermophysical properties and phase change temperature

In this paper we formulate a Stefan problem appropriate when the thermophysical properties are distinct in each phase and the phase-change temperature is size or velocity dependent. Thermophysical properties invariably take different values in different material phases but this is often ignored for mathematical simplicity. Size and velocity dependent phase change temperatures are often found at very short length scales, such as nanoparticle melting or dendrite formation; velocity dependence occurs in the solidification of supercooled melts. To illustrate the method we show how the governing equations may be applied to a standard one-dimensional problem and also the melting of a spherically symmetric nanoparticle. Errors which have propagated through the literature are highlighted. By writing the system in non-dimensional form we are able to study the large Stefan number formulation and an energy-conserving one-phase reduction. The results from the various simplifications and assumptions are compared with those from a finite difference numerical scheme. Finally, we briefly discuss the failure of Fourier's law at very small length and time-scales and provide an alternative formulation which takes into account the finite time of travel of heat carriers (phonons) and the mean free distance between collisions.

physics.comp-ph↗

arXiv2018

Modelling ultra-fast nanoparticle melting with the Maxwell-Cattaneo equation

The role of thermal relaxation in nanoparticle melting is studied using a mathematical model based on the Maxwell--Cattaneo equation for heat conduction. The model is formulated in terms of a two-phase Stefan problem. We consider the cases of the temperature profile being continuous or having a jump across the solid-liquid interface. The jump conditions are derived from the sharp-interface limit of a phase-field model that accounts for variations in the thermal properties between the solid and liquid. The Stefan problem is solved using asymptotic and numerical methods. The analysis reveals that the Fourier-based solution can be recovered from the classical limit of zero relaxation time when either boundary condition is used. However, only the jump condition avoids the onset of unphysical `supersonic' melting, where the speed of the melt front exceeds the finite speed of heat propagation. These results conclusively demonstrate that the jump condition, not the continuity condition, is the most suitable for use in models of phase change based on the Maxwell--Cattaneo equation. Numerical investigations show that thermal relaxation can increase the time required to melt a nanoparticle by more than a factor of ten. Thus, thermal relaxation is an important process to include in models of nanoparticle melting and is expected to be relevant in other rapid phase-change processes.

cond-mat.mes-hall↗

arXiv2018

Effective thermal conductivity of rectangular nanowires based on phonon hydrodynamics

A mathematical model is presented for thermal transport in nanowires with rectangular cross sections. Expressions for the effective thermal conductivity of the nanowire across a range of temperatures and cross-sectional aspect ratios are obtained by solving the Guyer--Krumhansl hydrodynamic equation for the thermal flux with a slip boundary condition. Our results show that square nanowires transport thermal energy more efficiently than rectangular nanowires due to optimal separation between the boundaries. However, circular nanowires are found to be even more efficient than square nanowires due to the lack of corners in the cross section, which locally reduce the thermal flux and inhibit the conduction of heat. By using a temperature-dependent slip coefficient, we show that the model is able to accurately capture experimental data of the effective thermal conductivity obtained from Si nanowires, demonstrating that phonon hydrodynamics is a powerful framework that can be applied to nanosystems even at room temperature.

cond-mat.mes-hall↗

arXiv2018

Asymptotic analysis of the Guyer-Krumhansl-Stefan model for nanoscale solidification

Nanoscale solidification is becoming increasingly relevant in applications involving ultra-fast freezing processes and nanotechnology. However, thermal transport on the nanoscale is driven by infrequent collisions between thermal energy carriers known as phonons and is not well described by Fourier's law. In this paper, the role of non-Fourier heat conduction in nanoscale solidification is studied by coupling the Stefan condition to the Guyer--Krumhansl (GK) equation, which is an extension of Fourier's law, valid on the nanoscale, that includes memory and non-local effects. A systematic asymptotic analysis reveals that the solidification process can be decomposed into multiple time regimes, each characterised by a non-classical mode of thermal transport and unique solidification kinetics. For sufficiently large times, Fourier's law is recovered. The model is able to capture the change in the effective thermal conductivity of the solid during its growth, consistent with experimental observations. The results from this study provide key quantitative insights that can be used to control nanoscale solidification processes.

cond-mat.mes-hall↗