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Solid organic matter (OM) in sedimentary rocks produces petroleum and solid bitumen when it undergoes thermal maturation. The solid OM is a 'geomacromolecule', usually representing a mixture of various organisms with distinct biogenic origins, and can have high heterogeneity in composition. Programmed pyrolysis is a common conventional method to reveal bulk geochemical characteristics of the dominant OM while detailed organic petrography is required to reveal information about the biogenic origin of contributing macerals. Despite advantages of programmed pyrolysis, it cannot provide information about the heterogeneity of chemical compositions present in the individual OM types. Therefore, other analytical techniques...
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These datasets are from an incubation experiment with a combination of two minerals (feldspar or amorphous aluminum hydroxide), one living species of bacteria (Escherichia coli), and one added form of C (Arthrobacter crystallopoietes necromass). We characterized the sorptive properties of the minerals with batch sorption experiments using four low molecular weight C substrates (glucose, oxalic acid, glutamic acid, p-hydroxybenzoic acid): this data is provided in the SterileSorptionData file. We then conducted a 3-wk long incubation in serum vials or imaging chambers. In both incubations, feldspar (200 mg) or amorphous aluminum hydroxide (100 mg) was given 1 of 4 different treatments: (1) a water control with autoclaved...
Geological models for petroleum generation suggest thermal conversion of oil-prone sedimentary organic matter in the presence of water promotes increased liquid saturate yield, whereas absence of water causes formation of an aromatic, cross-linked solid bitumen residue. To test the influence of exchangeable hydrogen from water, organic-rich (22 wt.% total organic carbon, TOC) mudrock samples from the Eocene lacustrine Green River Mahogany zone oil shale were pyrolyzed under hydrous and anhydrous conditions at temperatures between 300 and 370°C for 72 hrs. Petrographic approaches including optical microscopy, reflectance, Raman spectroscopy, and scanning electron and transmission electron microscopy, supplemented...
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This study presents Raman spectroscopic data paired with scanning electron microscopy (SEM) to assess solid bitumen composition and porosity development as a function of solid bitumen texture and association with minerals. A series of hydrous pyrolysis experiments (1-103 days, 300-370°C) using a low maturity (0.25% solid bitumen reflectance, BRo), high total organic carbon [(TOC), 14.0 wt. %] New Albany Shale sample as the starting material yielded pyrolysis residues designed to evaluate the evolution of TOC, solid bitumen aromaticity, and organic porosity development with increasing temperature and heating duration. Solid bitumen was analyzed by Raman spectroscopy wherein point data was collected from accumulations...
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A suite of slate samples collected along a 2 km transect crossing the Lishan Fault in central Taiwan were evaluated to assess the role of ductile strain energy in natural graphitization at greenschist facies metamorphic conditions. Scanning electron microscope (SEM) imaging documents phyllosilicate and quartz replacement textures consistent cleavage development via dissolution-precipitation processes that increase in intensity from east to west. X-ray diffraction data reveal an east-to-west linear decrease in the full-width-at-half-maximum (FWHM) values of the 004 muscovite peaks and shifts towards higher 2θ (lower d) values. Rietveld refinements required two distinct muscovite populations and muscovite microstrain...
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Here the spatial variation in Raman estimates of thermal maturity within individual organic domains from several shale geologic reference materials originating from the Boquillas, Marcellus, Niobrara, and Woodford Formations are assessed from the respective Raman response. We show that for all four shales the thermal maturity parameters extracted from Raman spectra by iterative peak fitting can vary widely across distances of ≤5 µm within the same organic domain.
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The most commonly used parameter for thermal maturity calibration in basin modelling is mean random vitrinite reflectance (Ro). However, Ro suppression, or lower than expected Ro, has been noted in samples containing a high proportion of liptinite macerals. This has been empirically demonstrated using hydrous pyrolysis experiments of artificial source rock containing various proportions of thermally immature Wyodak-Anderson coal and liptinite-rich kerogen from the Parachute Creek Member of the Green River Formation. Analysis of samples pyrolyzed at 330°C for 72 h demonstrates that the Ro values of both vitrinite and solid bitumen are suppressed, where the degree of suppression increases with increasing amounts of...
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This data release contains macro and microscale datasets describing the abundance, valence states, and mineral residence(s) of chromium, iron, and manganese in natural and synthetic mineral mixtures used in laboratory experiments designed to simulate dynamic conditions in an engineered aquifer system [see Izbicki and Groover (2018) and Miller and others (2020)]. The landing page contains primary metadata about this release and an overview "sample information" table containing descriptions of samples, their analyses, and their methods of preparation and preservation. As there is not a one-to-one correlation between samples and types of analyses performed, the overview table is an important navigation tool to locate...
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These datasets are from an incubation experiment with a combination of two minerals (feldspar or amorphous aluminum hydroxide), one living species of bacteria (Escherichia coli), and one added form of C (Arthrobacter crystallopoietes necromass). We characterized the sorptive properties of the minerals with batch sorption experiments using four low molecular weight C substrates (glucose, oxalic acid, glutamic acid, p-hydroxybenzoic acid): this data is provided in the SterileSorptionData file. We then conducted a 3-wk long incubation in serum vials or imaging chambers. In both incubations, feldspar (200 mg) or amorphous aluminum hydroxide (100 mg) was given 1 of 4 different treatments: (1) a water control with autoclaved...
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Raman spectroscopy was studied as a thermal maturity probe in a series of Upper Devonian Ohio Shale samples from the Appalachian Basin spanning from immature to dry gas conditions. Raman spectroscopy also was applied to samples spanning a similar thermal range created from 72-hour hydrous pyrolysis (HP) experiments of the Ohio Shale at temperatures from 300 to 360°C and isothermal HP experiments lasting up to 100 days of similar Devonian-Mississippian New Albany Shale. Raman spectra were treated by an automated evaluation software based on iterative and simultaneous modeling of signal and baseline functions to decrease subjectivity. Spectra show robust correlation to measured solid bitumen reflectance (BRo) values...
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The molecular composition of petroliferous organic matter and its composition evolution throughout thermal advance are key to understanding and insight into petroleum generation. This information is critical for comprehending hydrocarbon resources in unconventional reservoirs, as source rock organic matter is highly dispersed, in contact with the surrounding mineral matrix, and may be present as multiple organic matter types. Here, a combination of Raman spectroscopy and optical microscopy approaches was applied to a marginally mature (vitrinite reflectance ~0.5%) sample of the Late Cretaceous Boquillas Shale before and after hydrous pyrolysis (HP) at 300 °C and 330 °C for 72 hours. This experimental design allowed...
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To refine the use of graptolite and solid bitumen properties as thermal proxies at overmature conditions, we evaluated their evolution via Raman and infrared spectroscopies, reflectance, and geochemical screening in high-temperature hydrous and anhydrous experiments in comparison to naturally matured samples. Naturally matured samples included four overmature Wufeng-Longmaxi marine shales from the Sichuan Basin, China, with solid bitumen reflectance (BRo) values of 2.5-3.6% and graptolite reflectance (GRo) values of 2.3-3.9%. Immature starting materials for pyrolysis experiments included Mesoproterozoic (Ectasian) Xiamaling marine shale from Hebei, China (0.34% BRo, graptolite absent) and graptolite-bearing Ordovician...
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Note: this data release is currently being revised and is temporarily unavailable. A suite of slate samples collected along a 2 km transect crossing the Lishan Fault in central Taiwan were evaluated to assess the role of ductile strain energy in natural graphitization at greenschist facies metamorphic conditions. Scanning electron microscope (SEM) imaging documents phyllosilicate and quartz replacement textures consistent cleavage development via dissolution-precipitation processes that increase in intensity from east to west. X-ray diffraction data reveal an east-to-west linear decrease in the full-width-at-half-maximum (FWHM) values of the 004 muscovite peaks and shifts towards higher 2θ (lower d) values. Rietveld...


    map background search result map search result map High Microscale Variability in Raman Thermal Maturity Estimates from Shale Organic Matter - Data Release Data Release for Application of Raman spectroscopy as thermal maturity probe in shale petroleum systems: insights from natural and artificial maturation series (2018) Analyzing Heterogeneity in Artificially Matured Samples of Bakken Shales (2018) Optical Petrography, Bulk Chemistry, Micro-scale Mineralogy/Chemistry, and Bulk/Micron-Scale Solid-Phase Speciation of Natural and Synthetic Solid Phases Used in Chromium Sequestration and Re-oxidation Experiments with Sand and Sediment from Hinkley, CA Reflectance, Raman band separation and Mean multivariant curve resolution (MCR) in organic matter in Boquillas Shale Solid bitumen and vitrinite reflectance suppression explored using hydrous pyrolysis of artificial source rock (2021) TOC, Reflectance and Raman Data from Eocene Green River Mahogany zone Textural occurrence and organic porosity of solid bitumen in shales Thermal evolution of graptolite and solid bitumen properties at high maturity under natural and artificial conditions Evidence for strain induced graphitization across a ductile fault zone Evidence for strain induced graphitization across a ductile fault zone (Under Revision) Optical Petrography, Bulk Chemistry, Micro-scale Mineralogy/Chemistry, and Bulk/Micron-Scale Solid-Phase Speciation of Natural and Synthetic Solid Phases Used in Chromium Sequestration and Re-oxidation Experiments with Sand and Sediment from Hinkley, CA High Microscale Variability in Raman Thermal Maturity Estimates from Shale Organic Matter - Data Release Reflectance, Raman band separation and Mean multivariant curve resolution (MCR) in organic matter in Boquillas Shale Solid bitumen and vitrinite reflectance suppression explored using hydrous pyrolysis of artificial source rock (2021) Evidence for strain induced graphitization across a ductile fault zone Evidence for strain induced graphitization across a ductile fault zone (Under Revision) TOC, Reflectance and Raman Data from Eocene Green River Mahogany zone Data Release for Application of Raman spectroscopy as thermal maturity probe in shale petroleum systems: insights from natural and artificial maturation series (2018) Textural occurrence and organic porosity of solid bitumen in shales Analyzing Heterogeneity in Artificially Matured Samples of Bakken Shales (2018) Thermal evolution of graptolite and solid bitumen properties at high maturity under natural and artificial conditions