This thesis contains the results of molecular dynamics simulations of molecule-surface interactions, looking particularly at fullerene molecules and carbon surfaces. Energetic impacts of fullerene molecules on graphite create defect craters. The relationship between the parameters of the impacting molecule and the parameters of the crater are examined and found to be a function of the energy and velocity of the impacting molecule. Less energetic fullerene molecules can be scattered from a graphite surface and the partitioning of energy after a scattering event is investigated. It is found that a large fraction of the kinetic energy retained after impact is translational energy, with a small fraction of rotational energy and a number of vibrational modes. At impact energies where the surface is not broken and at normal incidence, surface waves are seen to occur. These waves are used to develop a method of desorbing molecules from a graphite surface without damage to either the surface or the molecules being desorbed. A number of fullerene molecules are investigated and ways to increase the desorption yield are examined. It is found that this is a successful technique for desorbing large numbers of intact molecules from graphite. This technique could be used for desorbing intact molecules into a gas phase for mass spectrometric analysis.

Please read the abstract in the section 00front of this document / Dissertation (MSc (Soil Science))--University of Pretoria, 2007. / Plant Production and Soil Science / MSc / unrestricted

The aim of this diploma thesis is to design a stripping column according to given requirements. At the beginning, the contaminant is described, in this case ammonia. Next section is putting emphasis on stripping columns, the principle, possible construction options etc. The main part of this thesis is focused on the design itself, including calculation of various parameters as well as simplified construction possibility. Drawing documentation is included in the attachment.

Low microbial activity and associated nutrient cycling are concerns in agricultural problem soils. The objectives of this study were to investigate microbial response on problem soils to amendments, drying-wetting cycles, and the interaction of amendments and drying-wetting cycles. In this laboratory study, soil carbon dioxide (CO2) flux was measured from thermal desorption treated soils and saline soils in response to Proganics, spent lime, and composted beef manure applications. Microbial activity was measured through CO2 flux and its rate of change, permanganate oxidizable C, and residual inorganic nitrogen. Proganics had the greatest ability to elevate and sustain microbial activity on problem soils, but spent lime and compost had the greatest potential to improve microbial mediated nitrogen mineralization. In conclusion, spent lime and compost can be effective amendments for improving soil quality of saline and thermal desorption treated problem soils to increase microbial activity and associated nitrogen cycling.

In order to maintain high quality safe drinking water, we need to understand what happens after the water has been cleaned at the drinking water plant and before it gets to the consumer’s house. Even if low concentrations of toxic contaminants enter the drinking water distribution system (DWDS) there is potential for contaminants to accumulate and be released by changes in flow or water conditions in high concentrations at the tap. For this study, we collected solid material from Park City, Utah that accumulated within the DWDS, along with a year of monthly monitoring of the DWDS. These solids were tested under five chemical and physical changes to see what contaminants can be released into the drinking water, with focus on eight elements: antimony (Sb), arsenic (As), chromium (Cr), copper (Cu), lead (PBS), and thallium (Tl) termed inorganic contaminants (TICs), also pipe elements iron (Fe) and manganese (Mn). From this study it was found that high concentrations of Sb, As, and Tl could be released under some conditions. Fortunately, we saw that the release of Cr, Cu, and Pb was either unmeasurable or so low that the amount never approached drinking water standards. The factors that were the most influential in producing high concentrations were both high and low pH, high temperature, low Cl2, and CaSO4. The most surprising observation was the very high concentrations of Tl released, reaching up to 90 μg/L, where the safe limit in drinking water is 2 μg/L. This study showed the importance of monitoring changes within the DWDS and that small changes can cause harmful levels of some contaminants to be released into the drinking water. However, monthly monitoring showed under normal conditions no harmful levels were detected.

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<p> In this study the experiments were designed to measure the geochemical and surface charge (zeta potential) changes with time for two crushed samples of feldspar (Na-fs and K-fs) over the pH range of most natural waters (5 to 9). These experiments show: </p> <p> (a) the importance of adsorption/desorption phenomena in both short-term and long-term feldspar dissolution, and probably for chemical weathering in general; </p> <p> (b) that the generalized curve which characterizes the geochemical data (an initial rapid rise to a peak followed by a decrease to a lower, either constant or later increasing value) is consistent with a consideration of the adsorption/desorption process (i.e., the formation of the double layer) taking place at the feldspar surface and with the simple dissolution of the mineral; </p> <p> (c) that the cation-silica ratios (Na₂O/SiO₂, K₂O/SiO₂, CaO/SiO₂) of the solution compared to those in the original feldspar indicate an initially incongruent dissolution which tends towards congruency during the latter part of the experiments. </p> <p> From information in the Iiterature and the results of these experiments. it may be concluded that: </p> <p> (a) the most important or master variables in chemical weathering are abrasion, minerologic or crystallographic factors such as twinning, exsolution regions, impurities, fractures and grain size, and solution composition and concentration. pH does not appear to be a master variable in most natural waters, especially for long-term weathering, and the chemical composition of the mineral phase is also not a good criterion for predicting weathering behaviour; and </p> <p> (b) the most extreme chemical weathering should occur in a high energy environment, either for physical reasons (i.e., high abrasion due to extreme relief) or for chemical reasons (i.e., high rainfall). </p> / Thesis / Master of Science (MSc)

Heavy metals, oxyanions (NO3-, PO4-), pharmaceuticals, and dyes in aquatic environments are inevitable economic and health concerns. Ingestion of these contaminants, even in trace amounts, causes long and short-term serious threats to human health. Conventional pollutant mitigation strategies can be costly or ineffective. Due to high efficiency, simplicity, low price, adsorbent reuse, and pollutant (e.g., phosphates) recovery, adsorption has been widely used for wastewater purification. Many efficient, environmentally compatible, and cost-effective sorbents have been successfully applied in environmental remediation. Chapter I is about characterization of graphene-coated pinewood biochar hybrids and evaluation of their copper removal performances. Here, we synthesized three types of pinewood biochar-graphene composites consisting of three different graphene precursors and compared their aqueous Cu2+ removal performances against raw pinewood biochar. To the best of our knowledge, no previous work has characterized the copper decontamination by graphene-biochar hybrids. Chapter II is about thermally- and chemically-treated lignite adsorbents for phosphate remediation. We engineered a cost efficient lignite system with co-precipitated Ca2+/Mg2+ followed by pyrolysis at 600 ⁰C to remediate aqueous phosphates. Micro-sized surface deposited oxide/hydroxide/carbonate particles promoted phosphate uptake of Ca2+/Mg2+-modified-lignite by 31 and 72 times, compared to thermally treated lignite (w/o a chemical treatment) and the raw lignite, respectively. The exhausted adsorbent can act as a slow-release fertilizer, which is comparable with commercial phosphate fertilizers. Chapter III is about synthesis of activated lignite [A-L], Ca2+-modified lignite [Ca-L], and Fe3O4 nanoparticle-loaded activated lignite (Fe3O4-A-L) for phosphate remediation. Even though A-L has a very high surface area (2854 m2/g), it did not achieve much phosphate sorption. Ca-L phosphate uptake was highest due to the high concentrations of surface deposited CaCO3, CaO, and Ca(OH)2. A pH-independent (from pH 5 to 9) phosphate removal was reported by highly basic Ca-L. However, the Ca2+ leaching was highest at pH 5. Precipitation of Ca2+ phosphates/hydrophosphates is the major phosphate removal mechanism of Ca-L. Fe3O4 and Fe2O3 sites of Fe3O4-A-L enhanced phosphate adsorption capacity, 8-fold versus A-L (67.6 mg/g vs 8.0 mg/g at 25 ºC). Fe3O4-A-L remediated phosphates via inner-sphere surface complexation and precipitation.