Molecular Fingerprinting of Energy Materials

Science Center Objects

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.

Abstracts

McAleer, R.J., Jubb, A.M., Hackley, P.C., Regan, S., and Walsh, G.J., 2018, Picking in the dark: Fluorescence imaging of zircon on a petrographic scope, a practical grain-picking tool: Geological Society of America Abstracts with Programs, v. 50, no. 2, Contributed talk, Northeastern Section - Geological Society of America 53rd Annual Meeting, March 2018, Burlington, VT.

Jubb, A.M., Jarboe, P.J., Birdwell, J.E., Burrus, R.C., Hackley, P.C., and Valentine, B.J., 2018, Assessing the spatial variability of shale maturity estimates from Raman spectroscopy:  American Association of Petroleum Geologists Annual Convention & Exhibition, Contributed poster, May 2018, Salt Lake City, UT.

McAleer, R.J., Jubb, A.M., Hackley, P.C., and Casale G., 2018, Photoluminescence imaging of zircon by conventional and laser excitation: Geochronologic and thermochronologic applications: 28th Goldschmidt Conference, Contributed poster, August 2018, Boston, MA.

Jubb, A.M., Engle, M.A., Akob, D.M., and Kent, D.B., 2018, Rapid and non-destructive Raman characterization of contaminants in soils impacted by produced water spills in the Permian basin: Contributed poster, 28th Goldschmidt Conference, Contributed poster, August 2018, Boston, MA.

Hackley, P.C., Zhang, T., Valentine, B.J., Dulong, F.T., Hatcherian, J.J., and Jubb, A.M., 2018, Organic petrography and diagenesis of Wolfcamp mudrocks and carbonates, Midland Basin: 70th Annual Meeting of the International Committee for Coal and Organic Petrography, Contributed poster, September 2018, Brisbane, Australia.

Jubb, A.M., 2018, Invited seminar presented at Oak Ridge National Laboratory, Environmental Sciences Division, “High Microscale Variability in Raman Thermal Maturity Estimates from Shale Organic Matter”, September 2018, Oak Ridge, Tennessee.

Jubb, A.M., 2018, Invited seminar presented at York University, Chemistry Department, “High Microscale Variability in Raman Thermal Maturity Estimates from Shale Organic Matter”, November 2018, York, United Kingdom.

Akob, D.M., Engle, M.A., Kent, D.B., Gregston, T., Jubb, A.M., Cozzarelli, I.M., and Orem, W.B., 2018, Evaluating the impact of oil and gas wastewater dumps in the Permian Basin on soil biogeochemistry: Fall Meeting of the American Geophysical Union, Contributed poster, December 2018, Washington, District of Columbia.

Boehlke, A.R., Hatcherian, J.J., Hackley, P.C., Birdwell, J.E., Jubb, A.M., and Valentine, B.J., 2019, Correlative petrographic and spectroscopic characterization of Boquillas Shale samples before and after hydrous pyrolysis: Understanding diagenesis and thermogenesis as it relates to storage and expulsion: 2019 Microscopy and Microanalysis Conference, Contributed poster, August 2019, Portland, Oregon.

Birdwell, J.E., Jubb, A.M., Valentine, B.J., Boehlke, A.R., Hatcherian, J.J., Hackley, P.C., 2019, Combined correlative petrographic and spectroscopic characterization of Boquillas Shale samples before and after hydrous pyrolysis: Implications for storage capacity and expulsion characteristics: 2019 American Association of Petroleum Geologists Annual Convention & Exhibition, Contributed poster, May 2019, San Antonio, Texas.

Jubb, A.M., Hackley, P.C., Hatcherian, J.J., Qu, J., and Nesheim, T.O., 2019, Molecular fractionation of organic matter at microscales within Ordovician kukersites revealed by nano-infrared spectroscopy: 2019 American Association of Petroleum Geologists Annual Convention & Exhibition, Contributed poster, May 2019, San Antonio, Texas.

Hackley, P.C., Jubb, A.M., Valentine, B.J., Hatcherian, J.J., and McAleer, R.J, 2019, New techniques and applications of organic petrography and spectroscopy: Insights for shale petroleum systems: 2019 American Association of Petroleum Geologists Annual Convention & Exhibition, Contributed talk, May 2019, San Antonio, Texas.

Hackley, P.C., Valentine, B.J., Jubb, A.M., Hatcherian, J.J., McAleer, R.J., Lohr, C.D., and Scott, C.T., 2019, Applications of organic petrography and spectroscopy for shale petroleum systems analysis: past, present, and future: AAPG Hedberg Conference Contributed poster, March 2019, Houston, Texas.