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To test if reflectance increases to sedimentary organic matter (vitrinite) caused by broad ion beam (BIB) milling were related to molecular aromatization and condensation, we used Raman and Fourier transform infrared (FTIR) spectroscopies to evaluate potential compositional changes in the same vitrinite locations pre- and post-BIB milling. The same locations also were examined by atomic force microscopy (AFM) to determine topographic changes caused by BIB milling (as expressed by the areal root-mean-square roughness parameter Rq). Samples consisted of four medium volatile bituminous coals. We used a non-aggressive BIB milling approach with conditions of [(5 min, 4 keV, 15°incline, 360° rotation at 25 rpm and 100%...
Categories: Data;
Tags: Bituminous Coal,
Broad Ion Beam,
Coal resources,
Energy Resources,
Geochemistry,
Inorganic compositions of flowback and co-produced waters from hydrocarbon extraction have been studied directly and through laboratory experiments that seek to replicate subsurface water-rock interaction. Here a broad analysis is made of compositions from the U.S. Geological Survey Produced Waters Database (v2.3) and leachates (water, hydrochloric acid, artificial brine) for 12 energy-resource related shales from across the United States. The database illustrates common ranges for 26 elements in 4 produced water types and enhanced solubility with increasing ionic strength is observed for Al, Ba, Fe, Li, Mn, Rb, Sr, and possibly 11 other elements. Differences are observed between laboratory leachates and produced...
The refractory nature of zircon to temperature and pressure allows even a single zircon grain to preserve a rich history of magmatic, metamorphic, and hydrothermal processes. Isotopic dating of micro-domains exposed in cross-sections of zircon grains allows us to interrogate this history. Unfortunately, our ability to select the zircon grains in a heavy mineral concentrate that records the most geochronologic information is limited by our inability to predict internal zonation from observations of whole zircon grains. Here we document the use of a petrographic microscope to observe and image the photoluminescence (PL) response of whole zircon grains excited under ultraviolet (UV) light, and the utility of this PL...
Categories: Data;
Tags: Adirondacks, NY,
Beauty Spot, NC,
Geochemistry,
Geochronology,
Sussex County, VA,
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...
Categories: Data;
Tags: Anhydrous pyrolysis,
Colorado,
Energy Resources,
Garfield County,
Geochemistry,
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...
The nanoscale molecular composition of kerogen is a challenging parameter to characterize given the chemical and structural complexity exhibited by this important biopolymer. However, kerogen composition will strongly impact its reactivity and so is a critical parameter to understand petroleum generation processes during kerogen catagenesis. The recent advent of tip-enhanced analytical methods, such as atomic force microscopy-based infrared spectroscopy (AFM-IR), has allowed for the major compositional features of kerogen to be elucidated at spatial resolutions at or below 50 nm. Here we apply AFM-IR to examine inertinite, an important kerogen maceral type, from an immature Eagle Ford Shale sample. Our data show...
Categories: Data;
Tags: Atomic force microscopy-based infrared spectroscopy (AFM-IR),
Energy Resources,
Geochemistry,
Organic matter,
Shale,
Solid bitumen is a petrographically-defined secondary organic matter residue produced during petroleum generation and subsequent oil transformation. The presence of solid bitumen impacts many shale reservoir properties including porosity, permeability, and hydrocarbon generation and storage, amongst others. Furthermore, solid bitumen reflectance is an important parameter for assessing the thermal maturity of formations with little to no vitrinite. While the molecular composition of solid bitumen will strongly impact associated parameters such as the development of organic matter porosity, hydrocarbon generation, and optical reflectance, assessing the molecular composition of solid bitumen in situ within shale reservoirs...
Categories: Data;
Tags: Energy Resources,
Geochemistry,
Oil and gas resources,
Organic matter,
Shale,
As more hydrocarbon production from hydraulic fracturing and other methods produce large volumes of water, innovative methods must be explored for treatment and reuse of these waters. However, understanding the general water chemistry of these fluids is essential to providing the best treatment options optimized for each producing area. Machine learning algorithms can often be applied to datasets to solve complex problems. In this study, we used the U.S. Geological Survey’s National Produced Waters Geochemical Database (USGS PWGD) in an exploratory exercise to determine if systematic variations exist between produced waters and geologic environment that could be used to accurately classify a water sample to a given...
Fluorescence spectroscopy via confocal laser scanning microscopy (CLSM) was used to analyze ancient sedimentary organic matter, including Tasmanites microfossils in Devonian shale and Gloecapsomorpha prisca (G. prisca) in Ordovician kukersite from North American basins. We examined fluorescence emission as a function of excitation laser wavelength, sample orientation, and with respect to location within individual organic entities and along organic matter chemical transects. Results from spectral scans of the same field of view in Tasmanites with different laser lines showed progressive red-shift in emission maxima with longer excitation wavelengths. This result indicates steady-state Tasmanites fluorescence emission...
Categories: Data;
Tags: Energy Resources,
Gloeocapsomorpha prisca,
North Dakota,
Ohio,
Petroleum resources,
Waters co-produced during petroleum extraction are the largest waste stream from oil and gas development. Reuse or disposal of these waters is difficult due both to their high salinities, which can greatly exceed 35 g/L (seawater equivalent), and also the sheer volume of wastewater generated, which is estimated at nearly 900 billion gallons per year across the United States. Beyond disposal concerns, produced water may also represent a possible source of valuable mineral commodities. While an understanding of the trace element composition of produced water is required for evaluating the associated resource and waste potential of these materials, measuring trace elements in high salinity brines is challenging due...
Fractionation of petroleum during migration through sedimentary rock matrices has been observed across lengths of meters to kilometers. Selective adsorption of specific chemical moieties at mineral surfaces and/or the phase behavior of petroleum during pressure changes are typically invoked to explain this behavior. Given the current emphasis on unconventional (continuous) resources, there is a need to understand petroleum fractionation occurring during expulsion and migration at the nanometer to micron scale, due to the fine-grained nature of petroliferous mudrocks. Here organic matter compositional differences observed within kukersite petroleum source beds (containing acritarch Gloeocapsomorpha prisca) from the...
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.
Categories: Data;
Tags: CEMEX quarry,
Carter County, Oklahoma,
Del Rio, Val Verde County, Texas,
Energy Resources,
Geochemistry,
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...
Categories: Data;
Tags: Colorado,
Colorado River,
Energy Resources,
Geochemistry,
Hydrous pyrolysis,
Here we report ultra-high resolution infrared mapping of organic matter functional group distribution in Tasmanites (algal microfossils) from the Upper Devonian Ohio Shale using optical photothermal infrared spectroscopy (O-PTIR). O-PTIR is capable of rapidly measuring the vibrational response of samples in situ with ~500-nm spatial resolution, well below the infrared diffraction limit. Our results indicate that organic matter within the fold apices regions (zones of greatest deformation) of relatively large Tasmanites is more aliphatic and less oxygen-rich than organic matter in the surrounding Tasmanites body. This contrasts with data from relatively thinner Tasmanites which show statistically invariant chemical...
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...
Categories: Data;
Tags: Energy Resources,
Energy resources,
Hydrous pyrolysis,
Mudrock,
Organic matter,
This study evaluated carbonaceous shales proximal to coal measures and coal samples via isothermal hydrous pyrolysis (HP) to compare differences in the maturation pathways of vitrinite in different matrices and with different starting aromaticity. Sample residues were analysed via vitrinite reflectance (VRo), geochemical screening tests (organic carbon and programmed temperature pyrolysis), and infrared spectroscopy. The study included samples from Indian and North American basins, to observe differences in vitrinite evolution with respect to enclosing mineral matrix, starting degree of aromaticity, organic matter types, stratigraphic age, and depositional environment. Tmax, production index (PI), and VRo show intuitive...
Citation Note: These data were collected as part of a research study published in Environmental Science and Technology. Please reference the following paper when citing these data. Blondes, M.S., Shelton, J.L., Engle, M.A., Trembly, J.P., Doolan, C.A., Jubb, A.M., Chenault, J.M., Rowan, E.L., Haefner, R.J., and Mailot, B.E., 2020, Utica Shale Play Oil and Gas Brines: Geochemistry and Factors Influencing Wastewater Management: Environmental Science & Technology, https://dx.doi.org/10.1021/acs.est.0c02461. The Utica and Marcellus Shale Plays in the Appalachian Basin are the 4th and 1st largest natural gas producing plays in the United States. Hydrocarbon production generates large volumes of brine (“produced water”)...
Categories: Data;
Tags: Appalachian Basin,
Energy Resources,
USGS Science Data Catalog (SDC),
field sampling,
natural gas resources,
Waters co-produced during petroleum extraction are normally considered wastes but are also possible resources, especially in water-stressed regions. Produced waters can be chemically complex. High salinity, naturally occurring radioactive materials, and organic substances derived from the producing formation can complicate treatment processes. Rapid screening methods to characterize produced waters could be important in determining effective and efficient treatment strategies, as the composition of these produced waters can vary dramatically. In this study, excitation-emission matrix spectroscopy (EEMs) was used to assess the types of fluorescent dissolved organic matter (fDOM) present in produced waters from six...
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