A series of physical and chemical analyses were conducted over a fifteen month period to establish the ecological risk, if any, of discharging minewater into aquatic ecosystems. Organic and inorganic analyses were used to determine the extent of contamination of minewater with soluble hydraulic fluids and other contaminant species. Throughout the sampling period the pithead discharge water exhibited a neutral pH and low levels of iron, manganese, zinc and potassium were found. Parallel toxicological and chemical studies identified elevated zinc levels above published toxicity levels for the test species Ceriodaphnia Dubia, but were not confirmed by subsequent study. The presence of organic species in the pit head discharge water was also identified, but the levels were found to be quite variable. Treatment processes involving the detention of the surface minewater and subsequent passage through wetlands exhibited a beneficial effect in reducing pollutant levels prior to disposal. Comparisons of the chemical composition of the minewater discharge with those of local waters were carried out and found to be similar in nature. / Master of Science (Hons)

In this work flow properties of dendrimers are studied with the aid of molecular simulations. For the first time the results of the nonequilibrium molecular dynamics simulations of the dendrimers in the melt are reported. Molecules are modelled at the coarse-grained level using the bead-spring model. The objective of this research is to analyse the influence of the molecular topology in the macroscopic flow behaviour of the melts. Systems of dendrimers of generations 1 to 4 undergoing planar shear are compared to the melts composed of linear chain polymers. The internal structure and shape of dendrimers is extensively analysed. The response of the molecules to the shearing in the form of stretching and alignment is studied. The correlation between the onset of shear thinning and the onset of deformation of molecules is observed. The changes in the fractal dimensionality of dendrimers due to shearing are also analysed. Dendrimers, due to their highly branched structure and compact globular conformations in the melt, are found to behave differently when sheared, compared to traditional linear polymers. Unlike linear polymers, they do not undergo transition form the Rouse to the reptation regimes. This effect is explained in terms of the suppressed entanglement between molecules. Moreover, dendrimers when compared to linear chain systems exhibit lower Newtonian viscosity, onset of the shear thinning at higher strain rates, and less pronounced shear thinning in the non-Newtonian regime. They can be used as rheology modifiers, as it is shown in the preliminary results obtained from the simulations of the dendrimers-linear polymer blends. In agreement with other theoretical and experimental studies, dendrimers in the melt are found to have compact space-filling structure with terminal groups distributed throughout the interior of the molecule. Suggestions for the further study of dendrimers via molecular simulations are made.

The aim of this work is to use molecular simulation to investigate the role of three-body interatomic potentials in noble gas systems for two distinct phenomena: phase equilibria and shear flow. In particular we studied the vapour-liquid coexisting phase for pure systems (argon, krypton and xenon) and for an argon-krypton mixture, utilizing the technique called Monte Carlo Gibbs ensemble. We also studied the dependence of the shear viscosity, pressure and energy with the strain rate in planar Couette flow, using a non-equilibrium molecular simulation (NEMD) technique. The results we present in this work demonstrate that three-body interactions play an important role in the overall interatomic interactions of noble gases. This is demonstrated by the good agreement between our simulation results and the experimental data for both equilibrium and non-equilibrium systems. The good results for vapour-liquid coexisting phases encourage performing further computer simulations with realistic potentials. This may improve the prediction of quantities like critical temperature and density, in particular of substances for which these properties are difficult to obtain from experiment. We have demonstrated that use of accurate two- and three-body potentials for shearing liquid argon and xenon displays significant departure from the expected strain rate dependencies of the pressure, energy and shear viscosity. For the first time, the pressure is convincingly observed to vary linearly with an apparent analytic y2 dependence, in contrast to the predicted y3/2 dependence of mode -coupling theory. Our best extrapolation of the zero -shear viscosity for argon gives excellent agreement (within 1%) with the known experimental data. To the best of our knowledge, this the first time that such accuracy has been achieved with NEMD simulations. This encourages performing simulations with accurate potentials for transport properties.

<p>A scene containing dynamic fluids can be created in a number of ways. There are two approaches that will highlight the problems and obstacles that might occur. Today’s leading fluid simulator, RealFlow, simulates the fluid dynamics. A comparison between the two approaches will be made and are analyzed. Through experimentation, one of the approaches fails to produce the set requirements in the experiment and furthermore the two approaches differ in efficiency.</p>

Graduation date: 1998

Graduation date: 1997

Graduation date: 1994

Thesis (M.Ch.E.)--University of Delaware, 2006. / Principal faculty advisor: Annette D.Shine, Dept. of Chemical Engineering. Includes bibliographical references.

Proper selection of drilling fluids plays a major role in determining the efficient completion of any drilling operation. With the increasing number of ultra-deep offshore wells being drilled and ever stringent environmental and safety regulations coming into effect, it becomes necessary to examine and understand the behavior of water based drilling fluids - which are cheaper and less polluting than their oil based counterpart - under extreme temperature and pressure conditions. In most of the existing literature, the testing procedure is simple - increase the temperature of the fluid in steps and record rheological properties at each step. A major drawback of this testing procedure is that it does not represent the continuous temperature change that occurs in a drilling fluid as it is circulated through the well bore. To have a better understanding of fluid behavior under such temperature variation, a continuous test procedure was devised in which the temperature of the drilling fluid was continuously increased to a pre-determined maximum value while monitoring one rheological parameter. The results of such tests may then be used to plan fluid treatment schedules. The experiments were conducted on a Chandler 7600 XHPHT viscometer and they seem to indicate specific temperature ranges above which the properties of the drilling fluid deteriorate. Different fluid compositions and drilling fluids in use in the field were tested and the results are discussed in detail.

Fluids are used for intravenous infusion during practically all surgeries, but several different compositions are available on the market. Crystalloid fluids comprise lactated or acetated Ringer solutions, normal saline, Plasma-Lyte, hypertonic saline, and glucose. They lack allergic properties but are prone to cause peripheral tissue oedema. Their turn­ over is governed by physiological factors such as dehydration and drug effects. Colloid fluids include hydroxyethyl starch, albumin, dextran, and gelatin. These fluids have various degrees of allergic properties and do not promote peripheral oedema. Their half-life is usually about hours. Factors increasing the turnover rate are poorly known but might include inflammatory states. Current debates include the widespread use of normal saline, which should be replaced by Ringer’s or Plasma-Lyte in most situations, and the kidney damage associated with the use of starch in septic patients. New studies show that hypertonic saline does not improve survival or neurological damage in prehospital care.