In potable water preparation, chlorination is the last step before the potable water enters the distribution network. Umgeni Water Wiggins Waterworks feeds the Southern areas of Durban. A reservoir at this facility holds treated water before it enters the distribution network. To ensure an adequate disinfection potential within the network, the free chlorine concentration in the water leaving the reservoir at the Umgeni Water Wiggins Waterworks should be between 0.8 and 1.2 mg/L. The aim of this study was to develop an effective strategy to predict and control the chlorine concentration at the exit of the reservoir. This control problem is made difficult by the wide variations in flow and level in the reservoirs, together with reactive decay of the chlorine concentration. A Computational Fluid Dynamic study was undertaken to gain understanding of the physical processes operating in the reservoir (FLUENT software). As this kind of modelling is not yet applicable for real-time control, compartment models have been created to simulate the behaviour of the reservoir as closely as possible, using the results of the fluid dynamic simulation. These compartment models were initially used in an extended Kalman filter (MATLAB software). In a first step, they were used to estimate the kinetic factor for chlorine consumption and in a second step, they predicted the chlorine concentration at the outlet of the reservoir. The comparison between predictions and data, allowed the validation of the compartment models. A predictive control strategy was developed using a Dynamic Matrix Controller, and tested offline on the compartment models. The controller manipulated the chlorine concentration in the inlet of the reservoir in order to control the chlorine concentration in the outlet of the reservoir. Finally, the simplest compartment model was implemented on-line, using the Adroit SCADA system of the plant, in the form of a Kalman filter to estimate the chlorine decay constant, as well as a predictive model, using this continuously-updated decay parameter. The adaptive Dynamic Matrix Controller using this model was able to control the outlet chlorine concentration quite acceptably, and further improvements of the control performance are expected from ongoing tuning. / Thesis (M.Sc.Eng.)-University of Natal, Durban, 2003.

Atherosclerosis, the leading cause of mortality in Western societies, affects large elastic arteries, causing focal deposition of proliferative inflammatory and lipid-laden cells within the artery. Several risk factors have been causally implicated in the ???reaction to injury??? hypothesis first described by Ross in 1969. The ???injury??? sustained by endothelial cells may be either mechanical or chemical. Environmental factors have a role in the production of chemical agents that are injurious to the endothelium. Mechanical stresses such as wall tensile stress are proportional to systemic blood pressure and pulse pressure. Essentially, these systemic pressures are fairly evenly distributed throughout the circulation. However, atherosclerotic lesions characteristically occur at focal sites within the human vasculature; at or near bifurcations, within the ostia of branch arteries and at regions of marked or complex curvature, where local haemodynamic abnormalities occur. The most discussed haemodynamic factor seems to be low or highly oscillating wall shear stress which exists on the outer wall of bifurcations and on the inner aspect of curving vessels. The magnitude of these haemodynamic forces may not be great but the subtleties of their variable spatial distribution may help to explain the multifocal distribution of atherosclerotic plaques. With the altered haemodynamics there is endothelial injury and phenotypic changes in the endothelium result, which in turn lead to endothelial cell dysfunction. These haemodynamic variables are difficult to measure directly in vivo. In this work a novel model is developed utilising human autologous vein bypass grafts as a surrogate vessel for the observation of pathological structural changes in response to altered haemodynamics. The influence of haemodynamic factors (such as wall shear stress) in the remodeling of the vein graft wall and the pathogenesis of Myointimal Hyperplasia (MIH) and resultant wall thickening in femoral bypass grafts is analysed. The haemodynamic determinants of MIH (which have been established in many animal models) are similar to those implicated in atherosclerosis. The accelerated responses of the vein (Intimal hyperplasia develops much more rapidly than atherosclerotic lesions in native vessels) make it an ideal model to expediently examine the hypothesised relationships prospectively in an in vivo setting. Furthermore, the utilisation of in vivo data acquired from non-invasive diagnostic methods (such as Magnetic Resonance Angiography (MRA) and Duplex ultrasound) combined with the application of state-of-the-art Computational Fluid Dynamic (CFD) techniques makes the model essentially non-invasive. The following hypotheses are examined: 1) regions of Low shear and High tensile stress should develop disproportionately greater wall thickening, 2) regions of greater oscillatory blood flow should develop greater wall thickening, and 3) regions of lower wall shear should undergo inward (or negative) remodelling and result in a reduction in vessel calibre. The conclusions reached are that abnormal haemodynamic forces, namely low Time-averaged Wall Shear Stress, are associated with subsequent wall thickening. These positive findings have great relevance to the understanding of vein graft MIH and atherosclerosis. It was also evident that with non-invasive data and CFD techniques, some of the important haemodynamic factors are realistically quantifiable (albeit indirectly). The detection of parameters known to be causal in the development of graft intimal hyperplasia or other vascular pathology may improve ability to predict clinical problems. From a surgical perspective this might be employed to facilitate selection of at-risk grafts for more focused postoperative surveillance and reintervention. On a broader stage the utilisation of such analyses may be useful in predicting individuals at greater risk of developing atherosclerotic deposits, disease progression, and the likelihood of clinical events such as heart attack, stroke and threat of limb loss.

Hollow fibre and spiral wound membrane (SWM) modules are the most common commercially available membrane modules. The latter dominate especially for RO, NF and UF and are the focus of this study. The main difficulty these types of modules face is concentration polarisation. In SWM modules, the spacer meshes that keep the membrane leaves apart also help reduce the effects of concentration polarisation. The spacer filaments act as flow obstructions, and thus encourage flow destabilisation and increase mass transfer enhancement. One of the detrimental aspects of the use of spacers is an increase of pressure losses in SWM modules. This study analyses the mechanisms that give rise to mass transfer enhancement in narrow spacer-filled channels, and investigates the relationship between flow destabilisation, energy losses and mass transfer. It shows that the regions of high mass transfer on the membrane surface correlate mainly with those regions where the fluid flow is towards the membrane. Based on the insights gained from this analysis, a series of multi-layer spacer designs are proposed and evaluated. In this thesis, a Computational Fluid Dynamics (CFD) model was used to simulate steady and unsteady flows with mass transfer in two- and three-dimensional narrow channels containing spacers. A solute with a Schmidt number of 600 dissolving from the wall and channel Reynolds numbers up to 1683 were considered. A fully-developed concentration profile boundary condition was utilised in order to reduce the computational costs of the simulations. Time averaging and Fourier analysis were performed to gain insight into the dynamics of the different flow regimes encountered, ranging from steady flow to vortex shedding behind the spacer filaments. The relationships between 3D flow effects, vortical flow, pressure drop and mass transfer enhancement were explored. Greater mass transfer enhancement was found for the 3D geometries modelled, when compared with 2D geometries, due to wall shear perpendicular to the bulk flow and streamwise vortices. Form drag was identified as the main component of energy loss for the flow conditions analysed. Implications for the design of improved spacer meshes, such as extra layers of spacer filaments to direct the bulk flow towards the membrane walls, and filament profiles to reduce form drag are discussed.

Hollow fibre and spiral wound membrane (SWM) modules are the most common commercially available membrane modules. The latter dominate especially for RO, NF and UF and are the focus of this study. The main difficulty these types of modules face is concentration polarisation. In SWM modules, the spacer meshes that keep the membrane leaves apart also help reduce the effects of concentration polarisation. The spacer filaments act as flow obstructions, and thus encourage flow destabilisation and increase mass transfer enhancement. One of the detrimental aspects of the use of spacers is an increase of pressure losses in SWM modules. This study analyses the mechanisms that give rise to mass transfer enhancement in narrow spacer-filled channels, and investigates the relationship between flow destabilisation, energy losses and mass transfer. It shows that the regions of high mass transfer on the membrane surface correlate mainly with those regions where the fluid flow is towards the membrane. Based on the insights gained from this analysis, a series of multi-layer spacer designs are proposed and evaluated. In this thesis, a Computational Fluid Dynamics (CFD) model was used to simulate steady and unsteady flows with mass transfer in two- and three-dimensional narrow channels containing spacers. A solute with a Schmidt number of 600 dissolving from the wall and channel Reynolds numbers up to 1683 were considered. A fully-developed concentration profile boundary condition was utilised in order to reduce the computational costs of the simulations. Time averaging and Fourier analysis were performed to gain insight into the dynamics of the different flow regimes encountered, ranging from steady flow to vortex shedding behind the spacer filaments. The relationships between 3D flow effects, vortical flow, pressure drop and mass transfer enhancement were explored. Greater mass transfer enhancement was found for the 3D geometries modelled, when compared with 2D geometries, due to wall shear perpendicular to the bulk flow and streamwise vortices. Form drag was identified as the main component of energy loss for the flow conditions analysed. Implications for the design of improved spacer meshes, such as extra layers of spacer filaments to direct the bulk flow towards the membrane walls, and filament profiles to reduce form drag are discussed.

Atherosclerosis, the leading cause of mortality in Western societies, affects large elastic arteries, causing focal deposition of proliferative inflammatory and lipid-laden cells within the artery. Several risk factors have been causally implicated in the ???reaction to injury??? hypothesis first described by Ross in 1969. The ???injury??? sustained by endothelial cells may be either mechanical or chemical. Environmental factors have a role in the production of chemical agents that are injurious to the endothelium. Mechanical stresses such as wall tensile stress are proportional to systemic blood pressure and pulse pressure. Essentially, these systemic pressures are fairly evenly distributed throughout the circulation. However, atherosclerotic lesions characteristically occur at focal sites within the human vasculature; at or near bifurcations, within the ostia of branch arteries and at regions of marked or complex curvature, where local haemodynamic abnormalities occur. The most discussed haemodynamic factor seems to be low or highly oscillating wall shear stress which exists on the outer wall of bifurcations and on the inner aspect of curving vessels. The magnitude of these haemodynamic forces may not be great but the subtleties of their variable spatial distribution may help to explain the multifocal distribution of atherosclerotic plaques. With the altered haemodynamics there is endothelial injury and phenotypic changes in the endothelium result, which in turn lead to endothelial cell dysfunction. These haemodynamic variables are difficult to measure directly in vivo. In this work a novel model is developed utilising human autologous vein bypass grafts as a surrogate vessel for the observation of pathological structural changes in response to altered haemodynamics. The influence of haemodynamic factors (such as wall shear stress) in the remodeling of the vein graft wall and the pathogenesis of Myointimal Hyperplasia (MIH) and resultant wall thickening in femoral bypass grafts is analysed. The haemodynamic determinants of MIH (which have been established in many animal models) are similar to those implicated in atherosclerosis. The accelerated responses of the vein (Intimal hyperplasia develops much more rapidly than atherosclerotic lesions in native vessels) make it an ideal model to expediently examine the hypothesised relationships prospectively in an in vivo setting. Furthermore, the utilisation of in vivo data acquired from non-invasive diagnostic methods (such as Magnetic Resonance Angiography (MRA) and Duplex ultrasound) combined with the application of state-of-the-art Computational Fluid Dynamic (CFD) techniques makes the model essentially non-invasive. The following hypotheses are examined: 1) regions of Low shear and High tensile stress should develop disproportionately greater wall thickening, 2) regions of greater oscillatory blood flow should develop greater wall thickening, and 3) regions of lower wall shear should undergo inward (or negative) remodelling and result in a reduction in vessel calibre. The conclusions reached are that abnormal haemodynamic forces, namely low Time-averaged Wall Shear Stress, are associated with subsequent wall thickening. These positive findings have great relevance to the understanding of vein graft MIH and atherosclerosis. It was also evident that with non-invasive data and CFD techniques, some of the important haemodynamic factors are realistically quantifiable (albeit indirectly). The detection of parameters known to be causal in the development of graft intimal hyperplasia or other vascular pathology may improve ability to predict clinical problems. From a surgical perspective this might be employed to facilitate selection of at-risk grafts for more focused postoperative surveillance and reintervention. On a broader stage the utilisation of such analyses may be useful in predicting individuals at greater risk of developing atherosclerotic deposits, disease progression, and the likelihood of clinical events such as heart attack, stroke and threat of limb loss.

Chain conformations and the presence of chain overlaps and entanglements in dilute polymer solutions have been analyzed. The fundamental problem of existence of chain overlaps in dilute solutions is related to the drag reduction phenomenon (DR). Even though DR occurs in solutions with the concentration of only few parts per million (ppm), some theories suggest that entanglements may play an important role in DR mechanism. Brownian dynamics technique have been used to perform simulations of dilute polymer solutions at rest and under shear flow. A measure of interchain contacts and two different measures of entanglements have been devised to evaluate the structure of polymer chains in solution. Simulation results have shown that overlaps and entanglements do exist in static dilute solutions as well as in solutions under shear flow. The effect of solution concentration, shear rate and molecular mass have been examined. In agreement with the solvation theory of DR mechanism, simulation results have demonstrated the importance of polymer + polymer interactions in dilute solutions.

This paper presents an investigation of seven different flux splitting algorithms for the discretization of inviscid fluxes, which are the primary source for the non-linear behavior (eg. shocks, contact discontinuities). The aim of the present work is to enhance the accuracy and robustness of CHEM, a three-dimensional flow solver, which is capable of simulating a wide range of flow conditions, including chemical non-equilibrium. Five different test cases cases are considered and thoroughly analyzed. The overall goal is to find a numerical scheme that can meet some stringent specifications of efficiency, accuracy and robustness on the widest possible spectrum of flow conditions.

In the interest of furthering the understanding of hemodynamics, this study has developed a method for modeling fluid mechanics behavior in individual human carotid arteries. A computational model was constructed from magnetic resonance (MR) data of a phantom carotid bifurcation model, and relevant flow conditions were simulated. Results were verified by comparison with previous in vitro experiments. The methodology was extended to create subject-specific carotid artery models from geometry data and fluid flow boundary conditions which were determined from MR and phase contrast MR (PCMR) scans of human subjects. The influence of subject-specific boundary conditions on the flow field was investigated by comparing a model based on measured velocity boundary conditions to a model based on the assumption of idealized velocity boundary conditions. It is shown that subject-specific velocity boundary conditions in combination with a subject-specific geometry and flow waveform influence fluid flow phenomena associated with plaque development. Comparing a model with idealized Womersley flow boundary conditions to a model with subject-specific velocity boundary conditions demonstrated the importance of employing inlet and flow division data obtained from individual subjects in order to predict accurate, clinically relevant, fluid flow phenomena such as low wall shear stress areas and negative axial velocity regions. This study also illustrates the influence of the bifurcation geometry, especially the flow divider position, with respect to the velocity distribution of the common carotid artery on the development of flow characteristics. Overall it is concluded that accurate geometry and velocity measurements are essential for modeling fluid mechanics in individual human carotid arteries for the purpose of understanding atherosclerosis in the carotid artery bifurcation.

Liquid fragmentation phenomenon is explored from both a fundamental (fully resolved) and an engineering (modeled) perspective. The dual objectives compliment each other by providing an avenue to gain further understanding into fundamental processes of atomization as well as to use the newly acquired knowledge to address practical concerns. A compressible five-equation interface model based on a Roe-type scheme for the simulation of material boundaries between immiscible fluids with arbitrary equation of state is developed and validated. The detailed simulation model accounts for surface-tension, viscous, and body-force effects, in addition to acoustic and convective transport. The material interfaces are considered as diffused zones and a mixture model is given for this transition region. The simulation methodology combines a high-resolution discontinuity capturing method with a low-dissipation central scheme resulting in a hybrid approach for the solution of time- and space-accurate interface problems. Several multi-dimensional test cases are considered over a wide range of physical situations involving capillary, viscosity, and gravity effects with simultaneous presence of large viscosity and density ratios. The model is shown to accurately capture interface dynamics as well as to deal with dynamic appearance and disappearance of material boundaries. Simulation of atomization processes and its interaction with the flow field in practical devices is the secondary objective of this study. Three modeling requirements are identified to perform Large-Eddy Simulation (LES) of spray combustion in engineering devices. In concurrence with these requirements, LES of an experimental liquid-fueled Lean Direct Injection (LDI) combustor is performed using a subgrid mixing and combustion model. This approach has no adjustable parameters and the entire flow-path through the inlet swirl vanes is resolved. The inclusion of the atomization aspects within LES eliminates the need to specify dispersed-phase size-velocity correlations at the inflow boundary. Kelvin-Helmholtz (or aerodynamic) breakup model by Reitz is adopted for the combustor simulation. Two simulations (with and without breakup) are performed and compared with measurements of Cai et al. Time-averaged velocity prediction comparison for both gas- and liquid-phase with available data show reasonable agreement. The major impact of breakup is on the fuel evaporation in the vicinity of the injector. Further downstream, a wide range of drop sizes are recovered by the breakup simulation and produces similar spray quality as in the no-breakup case.

Generating natural phenomena in a virtual world has a number of practical applications. Thanks to the rich and complicated details in the real world, the goal of realistically and efficiently reproducing natural phenomena is well known as an open problem for graphics researchers. In this dissertation, three different issues in modeling liquid animations have been addressed. First, a virtual surface method is proposed to account for surface tension effects and their interactions with solid surfaces in physically based fluid simulation. This allows us to generate various surface tension behaviors in small scale liquid. The second issue that is addressed is how to make small scale fluid simulation more efficient. The proposed solution is a general shallow wave equation model, extended from the original shallow wave equations. By simplifying 3D incompressible fluid dynamics into 2D, small scale liquid can be stably and efficiently simulated over arbitrarily curved surfaces using implicit numerical schemes. The third contribution is a novel hybrid framework that combines image based reconstruction techniques with physically based fluid simulation. While image based methods cannot correctly generate fluid animations alone frame by frame, physics is used as a refinement tool to enforce physical soundness by propagating shape information back and forth in space and time. In this way, water animations can be realistically and faithfully generated from images without error accumulation or stability issues.