The chemical composition of complex solid organic matter (OM) from sedimentary reservoirs is a key parameter in the generation of hydrocarbon fuels. Vibrational spectroscopies such as Fourier transform infrared (FTIR) and Raman have been widely applied to understand the molecular make-up of these hydrocarbon precursors, as well as provide links to their thermal histories via correlation to proven geothermometers such as vitrinite reflectance and programmed pyrolysis. However, FTIR and Raman are subject to inherent limitations (e.g., fluorescence interferences and low spatial resolution, respectively) that decrease their utility for understanding the chemical composition of heterogeneous OM throughout fuel-generation reactions. In this task we develop and apply new (e.g., surface enhanced Raman scattering and coupled atomic force microscopy-infrared spectroscopy) and existing spectroscopic approaches to fill knowledge gaps regarding the molecular composition of fuel-generating OM. These data provide fundamental insight into hydrocarbon fuels and their precursors which allow for more accurate assessments of the energy endowment of the United States.
Below are other science projects associated with this project task.
Geochemistry of Energy Fuels Project
Geochemistry of Energy Fuels Task
Byproducts of Energy Fuels
NORM Byproducts of Energy Resources
Microbial Methanogenesis and Strategies for Enhancements
Maps of Energy Occurrence
Trace Elements in Energy Fuels
Controls on Unconventional Oil and Gas Production
Below are data or web applications associated with this project task.
Nanoscale Molecular Composition of Solid Bitumen from the Eagle Ford Group Across a Natural Thermal Maturity Gradient
Data from Nanoscale Molecular Fractionation of Organic Matter within Unconventional Petroleum Source Beds (2019)
Below are publications associated with this project task.
Photoluminescence imaging of whole zircon grains on a petrographic microscope—An underused aide for geochronologic studies
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 ge
Nanoscale molecular composition of solid bitumen from the Eagle Ford Group across a natural thermal maturity gradient
Effect of copper salts on hydrothermal oxidative decarboxylation: A study of phenylacetic acid
Nanoscale molecular fractionation of organic matter within unconventional petroleum source beds
Hydrous heating experiments at 130°C yield insights into the occurrence of hydrogen sulfide and light alkanes in natural gas reservoirs
High microscale variability in Raman thermal maturity estimates from shale organic matter
- Overview
The chemical composition of complex solid organic matter (OM) from sedimentary reservoirs is a key parameter in the generation of hydrocarbon fuels. Vibrational spectroscopies such as Fourier transform infrared (FTIR) and Raman have been widely applied to understand the molecular make-up of these hydrocarbon precursors, as well as provide links to their thermal histories via correlation to proven geothermometers such as vitrinite reflectance and programmed pyrolysis. However, FTIR and Raman are subject to inherent limitations (e.g., fluorescence interferences and low spatial resolution, respectively) that decrease their utility for understanding the chemical composition of heterogeneous OM throughout fuel-generation reactions. In this task we develop and apply new (e.g., surface enhanced Raman scattering and coupled atomic force microscopy-infrared spectroscopy) and existing spectroscopic approaches to fill knowledge gaps regarding the molecular composition of fuel-generating OM. These data provide fundamental insight into hydrocarbon fuels and their precursors which allow for more accurate assessments of the energy endowment of the United States.
- Science
Below are other science projects associated with this project task.
Geochemistry of Energy Fuels Project
Since its establishment in 1879, USGS geoscientists have investigated the geochemistry of energy resources. Research conducted in the Geochemistry of Energy Fuels project continues this tradition. Goals include 1) understanding the geologic, geochemical, microbiological, and other factors that control production, quality, and composition of coal, petroleum, and nuclear fuels, and 2) predicting the...Geochemistry of Energy Fuels Task
Geologic and geochemical processes that impact fuel quality, quantity, and availability can be best understood by utilizing a range of approaches, including, but not limited to isotopic signatures, inorganic and organic analyses, and neutron scattering techniques. Current work focuses on using neutron scattering to understand how fluids are stored and flow through tight continuous reservoirs and...Byproducts of Energy Fuels
This task provides detailed information on the use and resource potential of energy by-products, as well as controls on the potential mobility of contaminants resulting from transport, storage, and disposal of these byproducts. Specific topics investigated include 1) transport and fate of organic and inorganic contaminants during storage and disposal of waste coal and coal combustion byproducts...NORM Byproducts of Energy Resources
Naturally Occurring Radioactive Material (NORM) is found in waste produced during the extraction of uranium, phosphate, rare earth elements (REE), coal, oil and gas resources. The focus of this effort is to understand the potential for byproduct recovery of U-235 and Th-232, the fissionable isotopes used to generate nuclear energy from wastes produced during energy resource development. The NORM...Microbial Methanogenesis and Strategies for Enhancements
Microbial (biogenic) natural gas is present in shale, coal and petroleum reservoirs and is estimated to account for 20% of the world’s natural gas resources. We provide hydrological, geochemical and microbial information related to the production of biogenic natural gas and new methods to monitor and enhance the production of this energy resource. Generating microbial methane at a faster rate from...Maps of Energy Occurrence
The primary objective of this task is to produce digital maps coal-bearing areas and related energy sources and materials of the U.S., and internationally. The approach for creating GIS representations of energy sources of the U.S. and the world is to use existing geologic GIS data where possible, supplemented by data on location, rank and age from published maps and reports. Each GIS database...Trace Elements in Energy Fuels
In this task we conduct new interpretive studies of the concentration and distribution of trace metals and mercury in coal and other energy materials. Complementary studies of coal combustion products are conducted under Task 8. Together with use of existing USGS databases, we examine the potential for reducing emissions of potentially toxic substances by coal preparation, and by optimizing coal...Controls on Unconventional Oil and Gas Production
This scoping task incorporates insights from new approaches to production of unconventional resources and currently focuses on conducting a pilot assessment of biogenic natural gas resources in the Permian Basin. For the pilot assessment to occur, we are developing a database that will host geochemical parameters known to be suggestive of microbial methanogenesis mined to the reservoir level for... - Data
Below are data or web applications associated with this project task.
Nanoscale Molecular Composition of Solid Bitumen from the Eagle Ford Group Across a Natural Thermal Maturity Gradient
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 thermalData from Nanoscale Molecular Fractionation of Organic Matter within Unconventional Petroleum Source Beds (2019)
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 ne - Publications
Below are publications associated with this project task.
Photoluminescence imaging of whole zircon grains on a petrographic microscope—An underused aide for geochronologic studies
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 ge
AuthorsRyan J. McAleer, Aaron M. Jubb, Paul C. Hackley, Gregory J. Walsh, Arthur J. Merschat, Sean P. Regan, William C. Burton, Jorge A. VazquezNanoscale molecular composition of solid bitumen from the Eagle Ford Group across a natural thermal maturity gradient
Microscopic 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 reservoir properties including porosity, permeability, and hydrocarbon generation and storage, among others. Furthermore, solid bitumen reflectance is an important parameter for assessing the therAuthorsAaron M. Jubb, Justin E. Birdwell, Paul C. Hackley, Javin J. Hatcherian, Jing QuEffect of copper salts on hydrothermal oxidative decarboxylation: A study of phenylacetic acid
Decarboxylation of carboxylic acids is favored under hydrothermal conditions, and can be influenced by dissolved metals. Here, we use phenylacetic acid as a model compound to study its hydrothermal decarboxylation in the presence of copper(II) salts but no O2. Our results showed a strong oxidizing role of copper in facilitating oxidative decarboxylation.AuthorsXuan Fu, Megan Jamison, Aaron M. Jubb, Yiju Liao, Alexandria Aspin, Kyle Hayes, Christopher R Glein, Ziming YangNanoscale molecular fractionation of organic matter within unconventional petroleum source beds
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 typically are invoked to explain this behavior. Such phenomena are of interest as they impact both the quality and recoverabilityAuthorsAaron M. Jubb, Paul C. Hackley, Javin J. Hatcherian, Jing Qu, Timothy O NesheimHydrous heating experiments at 130°C yield insights into the occurrence of hydrogen sulfide and light alkanes in natural gas reservoirs
Improved understanding of the origin of produced volatiles from conventional reservoirs and unconventional source rocks is critical for petroleum exploration and production. A series of hydrous heating experiments using two immature Type II siliciclastic source rocks, Pennsylvanian Turner Mine shale (TMS) and Devonian New Albany Shale (NAS), at 130 °C over one to two years were conducted to assessAuthorsM.A. Alrowaie, Aaron M. Jubb, A. Schimmelmann, M. Mastalerz, L.M. PrattHigh microscale variability in Raman thermal maturity estimates from shale organic matter
Raman spectroscopy has recently received attention as a means to estimate thermal maturity of organic matter in petroleum generating source rocks to complement more traditional approaches such as vitrinite reflectance and programmed pyrolysis. While many studies have observed positive correlations between source rock thermal maturity and Raman spectral parameters, little attention has been given tAuthorsAaron M. Jubb, Palma J. Botterell, Justin E. Birdwell, Robert C. Burruss, Paul C. Hackley, Brett J. Valentine, Javin J. Hatcherian, Stephen A. Wilson