The electronic structures of iron and manganese oxide and related minerals are investigated using Self-Consistent Field Xa Scattered Wave molecular orbital calculations on finite atomic clusters. Calculations on Fe0 6, FeO4, MnO6 and Fe04(OH)2 coordination polyhedra are used to investigate the nature of chemical bonds, electronic spectra, magnetism, and mechanisms of electron transport in these...

During Phase 1 of the Weyburn Project (2000-2004), 4D reflection seismic data were used to map CO2 migration within the Midale reservoir, while an extensive fluid sampling program documented the geochemical evolution triggered by CO2-brine-oilmineral interactions. The aim of this task (3b.11) is to exploit these existing seismic and geochemical data sets, augmented by CO2/H2O injection and HC/H...

Introduction: The current knowledge of the geological history of Venus can be interpreted in terms of the history of the geochemical environments on this planet. One can distinguish two parts of the geologic history of Venus: the later part, for which we have morphological records supplemented by geochemical measurements on the surface and in the atmosphere, and the earlier part, for which ther...

This thesis evaluates the utility of a geochemical technique for the investigation of paiaeoenvironmental change in south west England. The method, EDMA (Energy Dispersive X-ray Micro Analysis), is a rapid, non-destructive analysis tool, capable of detecting a large range of geochemical elements. This research examines the most appropriate method of sample preparation for organic soils and peat...

BACKGROUND Many important geochemical and biogeochemical reactions occur in the mineral/formation water interface of the highly abundant mineral, goethite [α-Fe(OOH)]. Ab initio molecular dynamics (AIMD) simulations of the goethite α-FeOOH (100) surface and the structure, water bond formation and dynamics of water molecules in the mineral/aqueous interface are presented. Several exchange correl...

Analysis of the distribution of major components and heavy metals in a section of post-Jurassic deposits of southern Hess Rise (Deep Sea Drilling Project Site 465), the results of processing analytical data by factor analysis, interpretation of information on mineralogy and lithology of sediments, and evaluation of rates of component accumulation enable distinction of the main stages in the geo...