A number of algorithms have been developed in order to determine the optimal final limits of an open pit mine. Due to the complex nature of this problem, however, very few of them can offer a reliable and complete answer. The case of an actual lignite deposit was used in this study, which enabled an investigation into the capabilities of one of the most established optimizers (Whittle Three-D™). A three-dimensional block model of the deposit was first developed, based on the available drillhole data, with the use of the Digital Underground™, an integrated geostatistical modeling package. The largest possible utilization of the original geologic information was intended, and the modeling results were correlated with existing reserves calculations and past geologic observations on quality characteristics. A flexible methodology was then followed to transform the geologic reserves block model into an economic one, where each block is assigned a net value. Two alternative objective criteria formulations where introduced to facilitate this scope. A series of parametric regular 3-D fixed economic block models were constructed by varying the block size and also some basic mining and economic parameters. A number of case studies were then conducted, to form an extended sensitivity analysis of the various parameters that affect the total value, tonnage, and waste volume of the final optimal pit. The conclusions drawn can develop useful guidelines for the decision making of the mine operator. The optimization also provides a detailed ultimate open pit layout, that can enable a comprehensive mine planning and design. / Master of Science

Le kérogène, fraction insoluble de la matière organique sédimentaire, est un mélange complexe et hétérogène de macromolécules organiques. Ces structures évoluent, essentiellement sous l’effet de la température, au cours des temps géologiques et génèrent les hydrocarbures présents dans les bassins sédimentaires. Comprendre et quantifier les mécanismes physicochimiques associés à ce processus est important pour l’estimation des réserves pétrolières. Au cours de cette étude, deux géopolymères ont été sélectionnés pour représenter la décomposition thermique de structures typiques des kérogènes naturels. Dans un premier temps, une étude expérimentale nous a permis (1) de proposer des structures moléculaires des géopolymères et (2) de décrire les mécanismes primaires de décomposition des géopolymères. Les échantillons ont été analysés au moyen d’expériences de pyrolyse en milieu confiné à cinq températures de référence comprises entre 200 à 300°C. Un schéma cinétique correspondant aux processus précoces de décomposition a été établi à partir des observations expérimentales pour chacun des deux géopolymères. Dans un deuxième temps, les modèles moléculaires élaborés dans l'étape précédente ont été soumis à des simulations moléculaires dynamiques utilisant un champ de forces réactif (ReaxFF). Ces simulations ReaxFF ont apporté une interprétation théorique aux processus-clés observés expérimentalement. L’ensemble des résultats de cette étude suggère que les modèles cinétiques, en une étape implémentés dans les simulateurs de bassin standard ne reproduisent pas correctement la physicochimie des processus de décomposition de la matière organique dans les roches mères naturelles / Kerogen, the insoluble fraction of sedimentary organic matter, is a complex mixing of organic macromolecules, the structure of which evolves during geological times as a function of temperature mainly. The thermal evolution of kerogen is at the origin of hydrocarbon deposits in sedimentary basins. Understanding and quantifying the physicochemical processes associated to this transformation is therefore important to improve the evaluation of petroleum systems. During this study, two geopolymers were selected in order to represent the thermal decomposition of typical structures in natural kerogen. Firstly, an experimental protocol was set up (1) to define molecular structures of the geopolymers, and (2) to describe primary mechanisms of decomposition of both geopolymers. The two samples were analysed using off-line pyrolysis experiments, at five reference temperatures comprised between 200 to 300°C. A kinetic scheme accounting for early decomposition processes was derived from these experimental observations for each geopolymer. Secondly, molecular models were submitted to molecular dynamic simulations using a reactive force field (ReaxFF). ReaxFF simulations provided theoretical supports to the key-processes derived from laboratory experiments. On the overall, results of this study suggested that kinetic models in one step (= parallels reactions implemented in standard (commercial) basin simulators do not adequately reproduce the physicochemistry of organic matter decomposition processes in natural source rocks

Les terrils du bassin minier de Provence sont implantés dans le paysage et demeurent à proximité des habitations de la métropole Aix-Marseille. Les terrils les plus anciens ont été naturellement colonisés par la végétation et des sols s’y sont développés avec une vitesse remarquable. Cette étude vise à comprendre les processus pédogénétiques en cours depuis 55 ans sur les terrils miniers. Nous avons étudié l’impact du lignite sur les caractéristiques physico-chimiques et microbiologiques d’un Rendosol naturel. Deux sols similaires, dont l’un est traversé par l’affleurement naturel d’une veine de lignite et l’autre pas, ont donc été comparés afin de caractériser les variables impactées par le lignite. L’étude du terril Armand a permis de comprendre les facteurs responsables de la formation et de la variabilité des caractéristiques des sols observés sur le terril. L’abondance de composés carbonés récalcitrants dans les sols enrichis en lignite affecte les niveaux d’activité des microorganismes responsables des processus biologiques dans les sols sans induire d’effets néfastes. Le lignite semble intervenir comme un facteur de dilution du carbone organique, diminuant ainsi la quantité de carbone disponible et donc la vitalité d’expression des fonctions microbiennes. Les activités biologiques sont diminuées en présence de lignite, mais les changements induits sur les propriétés physico-chimiques semblent améliorer la fertilité du sol. Les sols du terril Armand demeurent cependant encore à un stade d’évolution trop jeune pour préjuger de leur évolution future. / Spoil heaps are scattered over the coal basin of Provence: they are inserted in the landscape and often located close to urban areas of the Aix-Marseille Metropole. The oldest spoil heaps have been naturally colonized by local vegetation and soils have simultaneously quickly developed. This study aims at understanding the processes involved in soil forming on undisturbed lignite-rich spoil heaps since 55 years. We studied the impact of lignite on the physico-chemical and microbiological characteristics of an undisturbed soil: we compared two similar Rendosols, except that one was developed in a natural lignite outcrop. Then we studied on the 55-year-old Armand spoil heap the factors responsible for soil genesis and variability of soil characteristics. Recalcitrant carbon compounds found in soils enriched with lignite modify microbial activity but do not induce negative effects. It seems that lignite acts as a diluting factor of the organic carbon that decreases the available carbon pool and consequently on the vitality of the expression of the microbial functions. Enzymatic activities and basal respiration decrease while changes observed on physico-chemical properties tend to improve soil fertility. Some characteristics of the soils developed on the spoil heap are similar to those of the soil developed from the lignite outcrop, while others are more related to the way the spoil heap was set up. Although these results have shed light on some of the processes involved in soil formation on spoil heaps in a carbonated environment, soils on Armand spoil heap are still at an early stage of development that precludes conclusion on their future evolution.

The solvent-induced swelling behaviour of Victorian brown coals was examined in detail to probe the bonding mechanisms in very low rank coals (in this case Victorian brown coal). Correlation of solvent properties with differences in observed swelling behaviour were interpreted in terms of the coal structure, and means of predicting the observed behaviour were considered. Modification of the coal structure via physical compression (briquetting), chemical digestion, thermal modification, and functional group alkylation was used to further elucidate those structural features which govern the swelling behaviour of Victorian brown coals. Briquette weathering (i.e. swelling and disintegration of briquettes when exposed to variations in humidity and temperature) was examined by making alterations to briquette feed material and observing the effects on swelling in water. The application of solubility parameter alone to prediction of coal swelling was rejected due to the many exceptions to any proposed trend. Brown coal swelling showed a minimum when the solvent electron-donor number (DN) minus its electron-acceptor number (AN) was closest to zero, i.e. when DN and AN were of similar magnitude. The degree of swelling increased either side of this point, as predicted by theory. In contrast to the solubility parameter approach (which suffers from the uncertainty caused by specific interaction between coal and solvent), the electron donor/acceptor approach is about specific interactions. It was concluded that a combination of total and three-dimensional solubility parameters and solvent electron donor/acceptor numbers may be used to predict solvent swelling of unextracted brown coals with some success. Solvent access to chemically densified coal was found to be insensitive to a reduction in pore volume, and chemical effects were dominant. Thermal modification of the digested coal resulted in reduced swelling for all solvents, indicating that the structure had adopted a minimum energy configuration due to decarboxylation and replacement of hydrogen bonds with additional covalent bonds. Swelling of oxygen-alkylated coals demonstrated that the more polar solvents are able to break relatively weak hydrogen bonded crosslinks. The large difference between the rate and extent of swelling in water (and hence weathering) of Yallourn and Morwell briquettes was shown to be almost entirely attributable to exchanged magnesium. Magnesium exchange significantly increases the rate and extent of swelling of Yallourn coal. It was also shown that the swelling of briquettes due to uptake of water by magnesium-exchanged coals is reduced significantly with controlled ageing of the briquettes. The solvent swelling behaviour of Victorian brown coals is consistent with the notion that coal is a both covalently and non-covalently crosslinked and entangled macromolecular network comprising extractable species, which are held within the network by a wide range of non-covalent, polar, electron donor/acceptor interactions. Solvents capable of significant extraction of whole brown coals are also capable of significant swelling, but not dissolution, of the macromolecular coal network, which supports the view that the network is comprised of both covalent and ionic bonding. Victorian brown coals have also been shown to exhibit polyelectrolytic behaviour due to a high concentration of ionisable surface functionalities.

Bibliography: 208-218.

Fossil fuels has preserved their importance in gradually increasing production and consumption of both energy and electricity of the world. Asia, especially China and India, has arisen new actors of the sector. Energy and electricity consumption of Turkey has also increased in parallel with her economic development, but due to her limited resources, she has become more and more energy dependent in order to meet her growing demand. Although hard coal is only found around Zonguldak region, with its abundant and widely spread reserves, Turkey ranked world&rsquo / s third place in lignite production in 2008. Having low calorific value together with high ash and moisture content, most of lignites extracted is being consumed in thermic power plants located near those reserves. In the first two chapters of this study, energy in the world and Turkey will be considered seperately, then coal resources in Turkey will be analysed in the next coming chapter. Indirect and direct greenhouse emissions presented to the UNFCCC will be handled in the fifth chapter In the last chapter, first past and present performances of all indigenous coal fired power plants will be analysed, then after projecting their generation and fuel needs, they are evaluated considering with the reserves they are located. Finally, at the end of decomissioning of those power plants, remaining reserves will be re-evaluated and additional new units will be proposed accordingly.

Oxy-fuel combustion technology, which is based on burning coal in a mixture of oxygen and recycled flue gas (RFG), is suggested as one of new promising technologies for capturing CO2 from power plants. In this thesis study, the pyrolysis and combustion behaviour of various fuels including imported coal, petroleum coke, two different types of indigenous lignites, olive residue and their blends with different proportions in air and oxy-fuel conditions were investigated by using non-isothermal thermogravimetric method (TGA) coupled with Fourier-transform infrared (FTIR) spectrometer. Pyrolysis tests were carried out in nitrogen and carbon dioxide environments, which are the main diluting gases of air and oxy-fuel environment, respectively. Pyrolysis results reveal that weight loss profiles are similar up to high temperature zone in both pyrolysis environments, indicating that CO2 behaves as an inert gas in this temperature range. However, further weight loss takes place in CO2 atmosphere v after 700oC due to CO2-char gasification reaction which is observed in pyrolysis of all fuel samples. Combustion experiments were carried out in four different atmospheres / air, oxygen-enriched air environment (30 % O2 &ndash / 70 % N2), oxy-fuel environment (21 % O2 &ndash / 79 % CO2) and oxygen-enriched oxy-fuel environment (30 % O2 &ndash / 70 % CO2). Combustion experiments show that replacing nitrogen in the gas mixture by the same concentration of CO2 does not affect the combustion process significantly but leads to slight delay (lower weight loss rate and higher burnout temperature) in combustion. Overall comparison of weight loss profiles shows that higher oxygen content in the combustion environment is the dominant factor affecting the combustion rather than the diluting gas. As O2 concentration increases profiles shift through lower temperature zone, peak and burnout temperatures decrease, weight loss rate increases and complete combustion is achieved at lower temperatures and shorter times. Pyrolysis and combustion behaviour of three different fuel blends were also investigated. Results reveal synergistic interactions in combustion tests of all blends in all combustion environments. During pyrolysis and combustion tests gaseous products CO2, CO, H2O, CH4, SO2 and COS were identified in flue gas and analyzed by using FTIR. Results indicate that higher CO and COS formation take place during pyrolysis tests due to gasification reaction in CO2 atmosphere at high temperature zone. Gaseous species evolution trends in combustion tests are found specific for each fuel. However, evolution trends slightly shift to lower temperatures in oxygen-enriched conditions.

Jihomoravský lignit pocházející z dolu Mír v Mikulčicích, Lignit s.r.o. byl přesítován a vybraná frakce byla modifikována tzv. mokrou cestou pomocí dvou oxidačních (HNO3, H2O2) a dvou „amfifilních“ (kyselina octová, kyselina citronová) činidel. Alkalickou extrakcí byly získány jak huminové kyseliny z neupraveného tak předupraveného lignitu (tzv. regenerované huminové kyseliny). Na základě výsledku elementární analýzy byly vypočítány C/O a C/H poměry, které společně s FTIR spektry podaly informaci o stupni alifaticity/aromaticity a dále o stupni oxidace organického uhlíku. Pomocí vysokoúčinné vylučovací chromatografie byla stanovena distribuce velikosti huminových agregátů. K objasnění procesů probíhajících v povrchové vrstvě bylo proměřeno povrchové napětí studovaných roztoků vzorků. Získaná data byla proložena Szyszkowského rovnicí a obdržené parametry poukázaly jak na povrchovou aktivitu jednotlivých huminových kyselin tak i na povahu molekul zodpovědných za snižování povrchového napětí. Pro vzájemnou korelaci dat získaných výše zmíněnými metodami byl použit Pearsonův korelační koeficient.

Within the framework of this diploma thesis, the sorptive capability of a lignite as a natural adsorbent was applied on an aqueous solution of pentachlorophenol. The aqueous solution of this substance, which is very dangerous for the environment, was prepared in various concentration ranges according to reached solubility. The solubility is noticed in different literatures variously and then is not applicable. That is why it was necessary to find out the ”real“ solubility. The aqueous solution of pentachlorophenol of given concentration was subsequently put to adsorption with exactly defined quantity of the lignite and as a result the adsorptive isotherms were obtained. These isotherms represent the adsorption capability in dependence on the adsorption duration, quantity of used lignite and concentration of pentachlorophenol solution. By the adsorption with duration longer than one hour, the quantity of adsorbed PCP does not increase markedly.

Humic acids were extracted from South Moravian lignit. That humic sample was oxidized by either H2O2 or HNO3. In next step, oxidized humic acids were polymerized by formaldehyde in order to obtain cross-linked structures with improved water retention capacity. Affinity to water and water retention capacity of obtained products were studied by thermal analysis (DSC – differential scanning calorimetry and TGA – thermogravimetric analysis). In order to study above-mentioned parameters two different methods were used. First approach represented sorption of water to humic acids from three controlled humidities, for description of those processes TGA measurement was used. Second study was based on the DSC monitoring of water excess sorption. Results obtained from TGA measurements showed an increasing sorption ability with increasing relative humidity of the environment. DSC measurerents in hermetically sealed containers resulted in an increasing content of water bound by humic acids structures. All the modified samples of humic acids (oxidized as well as oxidized and modified by formaldehyde) gave higher retention capacity in comparion with the parental humic sample.