This thesis involves a study of the thermodynamics of liquid mixtures containing N-methyl-2pyrrolidone (NMP) and hydrocarbons or ethers. NMP is a polar liquid which is used in liquid extraction procedures for the separation of polar and nonpolar hydrocarbons. It was considered important enough to devote an entire thesis to the properties of NMP related to its interactions with simple hydrocarbons and ethers. The thesis consists of four parts: Part one is devoted to liquid-liquid equilibria. Experimental results at 298.2 K, are presented for the mixtures: NMP + an aromatic hydrocarbon + an n-alkane. Firstly, the effect increasing the chain length of the alkane has on the liquid-liquid equilibria was investigated, by studying mixtures of the type: an n-alkane + toluene + NMP; where the n-alkane refers to n-hexane or n-nonane or n-tetradecane or n-hexadecane. Secondly, the effect of substitution on the benzene ring on the equilibria was studied by measuring the liquid-liquid equilibria for the mixtures: n-hexadecane + an aromatic hydrocarbon + NMP; where the aromatic hydrocarbon refers to toluene or o-xylene or m-xylene or p-xylene or mesitylene or ethyl benzene. The chain length of the n-alkane had a significant effect on the liquid-liquid equilibria. Methyl substitution on the benzene ring had a small effect on the liquid-liquid equilibria. Part two is devoted to activity coefficients at infinite dilution. Experimental results at 298,15 K, determined using gas-liquid chromatography, are presented for the mixtures: NMP (solvent) + n-pentane or n-hexane or n-heptane or n-octane or cyclopentane or cyclohexane or cycloheptane or I-hexene or 1-heptene or l-octene or diethyl ether or diisopropyl ether. The magnitudes of the infinite dilution activity coefficients had the following order: n-alkanes > cycloalkanes > l-alkenes > ethers. Part three is devoted to excess molar enthalpies. Experimental results at 298.15 K are presented for the mixtures: NMP + an aromatic hydrocarbon. Here, an aromatic hydrocarbon refers to one of benzene or toluene or o-xylene or m-xylene or p-xylene or mesitylene or ethyl benzene. Isothermal flow microcalorimetry was used to determine the excess molar enthalpies. Increased methyl substitution on the' benzene ring manifests itself as a reduction in the association between NMP and the aromatic hydrocarbon. Part four is devoted to excess molar volumes. Experimental results at 298.15 K are presented for the mixtures: NMP + an aromatic hydrocarbon. Here, an aromatic hydrocarbon refers to one of benzene or toluene or o-xylene or m-xylene or p-xylene or mesitylene or ethyl benzene. Densitometry was used to determine the excess molar volumes. The excess molar volumes were negative for all the mixtures. / Thesis (M.Sc.)-University of Natal, 1997.

Acetylpropionyl (2,3-pentanedione) and diacetyl (2,3-butanedione) are by-products of sugar manufacture. Both diketones have many uses, mainly food related. Vapour-liquid equilibrium data and infinite dilution activity coefficients are required to design purification processes for these chemicals. A review of available experimental methods revealed that the vapour and liquid recirculating still is most appropriate when both isobaric and isothermal VLE are required. The low-pressure dynamic still of Raal and Muhlbauer (1998) used in this study incorporates many features to ensure that measurements are of excellent quality (as demonstrated by Joseph et al., 2001). VLE measurements were made for the following systems: • Acetone with diacetyl at 30 C, 40 C, 50 C and 40 kPa • Methanol with diacetyl at 40 C, 50 C, 60 C and 40 kPa • Diacetyl with 2,3-pentanedione at 60 C, 70 C, 80 C and 40 kPa • Acetone with 2,3-pentanedione at 50 C, 30 kPa and 40 kPa. All the systems, except for methanol with diacetyl, displayed close to ideal behaviour. This was expected as they are mixtures of ketones. Solution thermodynamics allows one to perform data reduction of the measured VLE data to ensure accurate extrapolation and interpolation of the measurements. Furthermore, the quality of the data can be judged using thermodynamic consistency tests. The data were represented by the Gamma-Phi approach to VLE (the preferred method for low-pressure VLE computations). The two-term virial equation of state was used to account for vapour phase non-ideality. Second virial coefficients were calculated by the method of Hayden and 0'Connell (1975). The liquid phase non-ideality was accounted for by the Wilson, NRTL or UNIQUAC models. The best fit models are proposed for each system, as are parameters as functions of temperature for the isobaric data. The data were judged to be of high thermodynamic consistency by the stringent point test (Van Ness and Abbott, 1982) and the direct test (Van Ness, 1995) for thermodynamic consistency. The data sets were rated, at worst, "3" on the consistency index proposed by Van Ness (1995). A rating of "I" is given for a perfectly consistent data set and "10" for an unacceptable data set. For the system acetone with 2,3-pentanedione, isobars at 30 kPa and 40 kPa were measured. The results from the reduction of the 30 kPa set were used to accurately predict the 40 kPa data set. Infinite dilution activity coefficients were measured by the inert gas stripping method (based on the principle of exponential dilution). In order to specify the appropriate dilutor flask height (to ensure equilibrium is achieved), mass transfer considerations were made. These computations ensured that the gas phase was in equilibrium with the liquid phase at the gas exit point. The following infinite dilution activity coefficients were measured: • Acetone in diacetyl at 30 C • Methanol in diacetyl at 40 C • Diacetyl in 2,3-pentanedione at 60°C • Acetone in 2,3-pentanedione at 50 C. The ketone mixtures, once again, displayed close to ideal behaviour. / Thesis (M.Sc.)-University of Natal, Durban, 2003.

Experimental vapour-liquid equilibria (VLE) data is required for the design of separation / Thesis (M.Sc.Eng.)-University of KwaZulu-Natal, Durban, 2009.

Background. Accidental falls comprise a serious health concern in older adults. Partially accounting for the high incidence rates is postural instability. While customized foot orthotics can improve certain measures of functional stability, the purpose of this study was to explore the degree to which prefabricated orthotics benefit this population and to expand the evidence base to postural stability. Methods. Eighteen healthy older adults (72.7 ± 4.8 years) were evaluated with and without foot orthotics, and again following 2-3 weeks of use. Functional stability was evaluated via the Timed-Up-and-Go test and the Fullerton Advanced Balance scale. Computerized posturography was used to assess stability in altered sensory environments (Sensory Organization Test) and to assess overall stability limits (Limits of Stability test). A pressure analysis system assessed gait parameters and pressure distribution patterns. Results. Foot orthotics improved stability on the Timed-Up-and-Go (p=0.003) and the Fullerton Advanced Balance Scale (p<0.001) and decreased fall occurrence on the Sensory Organization Test. Times based changes of postural stability occurred for medio-lateral sway velocity and area when only the vestibular system providing accurate information (condition 5) (p=0.001, 0.05, respectively), and under sensory conflict (condition 6) for sway velocity (medio-lateral and antero-posterior), sway path length and sway area (p=0.015, 0.021, 0.015, 0.015, respectively). An interaction effect was found for maximum excursion composite score (p=0.001) on the Limits of Stability test, as well as a main effect of time for directional control in the ML direction and composite score (p=0.024.0.043). Contact area increase in the midfoot and rearfoot and peak force decreased in the rearfoot (p=0.001, 0.03, 0.027, respectively). Conclusions. Results indicate that foot orthotic use can improve functional measures of stability in older adults. It is unclear whether the time-based changes in postural stability are attributable to the orthotics or are a result of learning effects. Regardless, improvements in stability with prefabricated foot orthotics may help decrease the risk of falls in this population. / School of Physical Education, Sport, and Exercise Science

In this thesis I study a model of self propelled particles exhibiting run-and tumble dynamics on lattice. This non-Brownian diffusion is characterised by a random walk with a finite persistence length between changes of direction, and is inspired by the motion of bacteria such as Escherichia coli. By defining a class of models with multiple species of particle and transmutation between species we can recreate such dynamics. These models admit exact analytical results whilst also forming a counterpart to previous continuum models of run-and- tumble dynamics. I solve the externally driven non-interacting and zero-range versions of the model exactly and utilise a field theoretic approach to derive the continuum fluctuating hydrodynamics for more general interactions. I make contact with prior approaches to run-and-tumble dynamics of lattice and determine the steady state and linear stability for a class of crowding interactions, where the jump rate decreases as density increases. In addition to its interest from the perspective of nonequilibrium statistical mechanics, this lattice model constitutes an efficient tool to simulate a class of interacting run-and-tumble models relevant to bacterial motion. Pattern formation in bacterial colonies is confirmed to be able to stem solely from the interplay between a diffusivity that depends on the local bacterial density and regulated division of the cells, in particular without the need for any explicit chemotaxis. This simple and generic mechanism thus provides a null hypothesis for pattern formation in bacterial colonies which has to be falsified before appealing to more elaborate alternatives. Most of the literature on bacterial motility relies on models with instantaneous tumbles. As I show, however, the finite tumble duration can play a major role in the patterning process. Finally a connection is made to some real experimental results and the population ecology of multiple species of bacteria competing for the same resources is considered.

We use a three-country, 14-sector computable general equilibrium (CGE) model to examine the effect of immigration on the labor market, production sectors and the macroeconomy of Austria and Hungary. We analyze the phenomenon of immigration in an empirical model in order to get an idea of the quantitative dimension of the economic problems involved, rather than introduce new integration theory. Our study aims more at the impact of migration than at forecasting future migration flows. (excerpt) / Series: EI Working Papers / Europainstitut

This thesis is a collection of essays where I explore and extend the study of the role of financial frictions for the determination of asset prices, financial stability, and economic resilience. The frictions included in the analysis are individual and aggregate uncertainty, agent heterogeneity, money, liquidity and default. The first essay is an empirical study that motivates my research objectives. This work starts with the exploration of the role of liquidity on asset prices, specifically on sovereign bonds of emerging countries. I present a comprehensive model where I developed a novel methodology for finding the role of liquidity in the determination of asset prices during the financial crisis. In the second essay, illuminated by the empirical findings, I apply and expand the general equilibrium theory of money, default and financial stability. The contributions at the theoretical level are the extension of two-period model with discrete state space to the infinite horizon dynamic stochastic setting, and the inclusion of liquidity restrictions. In the third essay, I further extend this framework, allowing for production technology and endogenous market liquidity. Given the theoretical setting, I have analyzed the responses of financial stability and economic performance variables to real and financial shocks. Finally, in the fourth essay I produce an empirical application of this work. I apply a novel semi-parametric financial stability metric, and evaluate its relevance for the determination of asset prices, in the presence of liquidity restrictions. As a result, this thesis suggest plausible explanations for financial and economic issues that conventional models have not dealt with adequately.

Dissertation research involves development of Mobile Order Theory thermodynamic models to mathematically describe and predict the solubility, spectral properties, protonation equilibrium constants and two-phase partitioning behavior of solutes dissolved in binary solvent mixtures of analytical importance. Information gained provide a better understanding of solute-solvent and solvent-solvent interactions at the molecular level, which will facilitate the development of better chemical separation methods based upon both gas-liquid and high-performance liquid chromatography, and better analysis methods based upon complexiometric and spectroscopic methods. Dissertation research emphasizes chemical equilibria in systems containing alcohol cosolvents with the understanding that knowledge gained will be transferable to more environmentally friendly aqueous-organic solvent mixtures.

Reynolds average Navier-Stokes (RANS) modeling has established itself as a critical design tool in many engineering applications, thanks to its superior computational efficiency. The drawbacks of RANS models are well known, but not necessarily well understood: poor prediction of transition, non-equilibrium flows, mixing and heat transfer, to name the ones relevant to our study. In the present study, we use a direct numerical simulation (DNS) of a reciprocating channel flow driven by an oscillating pressure gradient to test several low- and high-Reynolds' RANS models. Temperature is introduced as a passive scalar to study heat transfer modeling. Low-Reynolds' models manage to capture the overall physics of wall shear and heat flux well, yet with some phase discrepancies, whereas high-Reynolds' models fail. We have derived an integral method for wall shear and wall heat flux analysis, which reveals the contributing terms for both metrics. This method shows that the qualitative agreement appears more serendipitous than driven by the ability of the models to capture the correct physics. The integral method is shown to be more insightful in the benchmarking of RANS models than the typical comparisons of statistical quantities. This method enables the identification of the sources of discrepancies in energy budget equations. For instance, in the wall heat flux, one model is shown to have an out of phase dynamic behavior when compared to the benchmark results, demonstrating a significant issue in the physics predicted by this model. Our study demonstrates that the integral method applied to RANS modeling yields information not previously available that should guide the derivation of physically more accurate models.

A model for meningitis is developed by adding a class of carriers to the basic SIR model. This model is used to analyze the impact a vaccination program can have on the health of the population of epidemic prone countries. Analysis of the model shows the local stability of the disease free equilibrium, the existence of an endemic equilibrium and computation of the reproduction number, ℜ0 . Using a MATLAB program we simulate a time course of the model using parameters gathered from the World Health Organization. The numerical solution demonstrates that our reproduction number was correct. We thenconcluded that a high infection transmission rate requires a high vaccine rate.