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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources

This report summarizes the significant findings from the Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources program sponsored by the Department of Energy through the National Energy Technology Laboratory. There were four principle areas of research; Environmental, legal, and policy issues related to development of oil shale and oil sands resources; Economic and environmental assessment of domestic unconventional fuels industry; Basin-scale assessment of conventional and unconventional fuel development impacts; and Liquid fuel production by in situ thermal processing of oil shale Multiple research projects were conducted in each area and the results have been communicated via sponsored conferences, conference presentations, invited talks, interviews with the media, numerous topical reports, journal publications, and a book that summarizes much of the oil shale research relating to Utah’s Uinta Basin. In addition, a repository of materials related to oil shale and oil sands has been created within the University of Utah’s Institutional Repository, including the materials generated during this research program. Below is a listing of all topical and progress reports generated by this project and submitted to the Office of Science and Technical Information (OSTI). A listing of all peer-reviewed publications generated as a result of this project is included at the end of this report; Geomechanical and Fluid Transport Properties 1 (December, 2015); Validation Results for Core-Scale Oil Shale Pyrolysis (February, 2015); and Rates and Mechanisms of Oil Shale Pyrolysis: A Chemical Structure Approach (November, 2014); Policy Issues Associated With Using Simulation to Assess Environmental Impacts (November, 2014); Policy Analysis of the Canadian Oil Sands Experience (September, 2013); V-UQ of Generation 1 Simulator with AMSO Experimental Data (August, 2013); Lands with Wilderness Characteristics, Resource Management Plan Constraints, and Land Exchanges (March, 2012); Conjunctive Surface and Groundwater Management in Utah: Implications for Oil Shale and Oil Sands Development (May, 2012); Development of CFD-Based Simulation Tools for In Situ Thermal Processing of Oil Shale/Sands (February, 2012); Core-Based Integrated Sedimentologic, Stratigraphic, and Geochemical Analysis of the Oil Shale Bearing Green River Formation, Uinta Basin, Utah (April, 2011); Atomistic Modeling of Oil Shale Kerogens and Asphaltenes Along with their Interactions with the Inorganic Mineral Matrix (April, 2011); Pore Scale Analysis of Oil Shale/Sands Pyrolysis (March, 2011); Land and Resource Management Issues Relevant to Deploying In-Situ Thermal Technologies (January, 2011); Policy Analysis of Produced Water Issues Associated with In-Situ Thermal Technologies (January, 2011); and Policy Analysis of Water Availability and Use Issues for Domestic Oil Shale and Oil Sands Development (March, 2010)

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2015

Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources

This report summarizes the significant findings from the Clean and Secure Energy from Domestic Oil Shale and Oil Sands Resources program sponsored by the Department of Energy through the National Energy Technology Laboratory. There were four principle areas of research: Environmental, legal, and policy issues related to development of oil shale and oil sands resources, Economic and environmental assessment of domestic unconventional fuels industry, Basin-scale assessment of conventional and unconventional fuel development impacts, and Liquid fuel production by in situ thermal processing of oil shale. Multiple research projects were conducted in each area and the results have been communicated via sponsored conferences, conference presentations, invited talks, interviews with the media, numerous topical reports, journal publications, and a book that summarizes much of the oil shale research relating to Utah’s Uinta Basin. In addition, a repository of materials related to oil shale and oil sands has been created within the University of Utah’s Institutional Repository, including the materials generated during this research program.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2018

Estimating the reaction parameters of oil shale pyrolysis and oil shale grade using temperature transient analysis and inverse modeling

Grade of oil shale and reaction parameters of in-situ pyrolysis must be identified for the prediction of productivity before actual heating and production. Identification of oil shale grade and reaction parameters depends on laboratory experiments on core samples. However, laboratory-determined parameters can be different from those representing in-situ reservoir conditions. We use inverse modeling to determine oil shale grade and reaction parameters. The inversions are based on a forward model that simulates heat injection into a well. Temperature at the heating well is affected by a thermal skin effect as a result of a decrease of composite thermal conductivity around the heater due to the decomposition-induced porosity increase. Synthetic observations of heater temperature are generated from a forward simulation. Temperature difference and its derivative are used in synthetic inversions to estimate oil shale grade and parameters of active decomposition reactions with an error below 1%. Finally, the proposed methodology of inverse modeling is expected to successfully estimate the oil shale grade and reaction parameters without core sampling and subsequent surface experiments.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2021

Coupling dynamic in situ X-ray micro-imaging and indentation: A novel approach to evaluate micromechanics applied to oil shale

Oil and gas shales are a system where understanding the mechanical properties at the microscale is of paramount importance, e.g. to better understand the behavior of proppant-shale contacts and their role in the evolution of propped fractures in unconventional reservoirs. Here we show for the first time an experiment coupling indentation testing with in situ X-ray imaging in a Green River shale sample. A full compliance curve has been measured with the sample in water, allowing to visualize the indentation of the sample in function of axial load, in a purpose-built system for combined in situ indentation and X-ray imaging. A series of 3D datasets were used for a digital volume correlation study to obtain local strain fields. This analysis has been complemented with the analysis of cracks. Finally, geomechanical modeling has been carried out to replicate and generalize the observed behavior in the shale. This study validated this experimental approach, providing a breakthrough in understanding micro-mechanics in shales, and demonstrates how this class of experiments can be important for studies involving the prediction of the evolution of propped fractures in shale reservoirs, with possible applications in a much larger number of application fields (geothermal, materials science, etc.)

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2014

Carbon sequestration in depleted oil shale deposits

A method and apparatus are described for sequestering carbon dioxide underground by mineralizing the carbon dioxide with coinjected fluids and minerals remaining from the extraction shale oil. In one embodiment, the oil shale of an illite-rich oil shale is heated to pyrolyze the shale underground, and carbon dioxide is provided to the remaining depleted oil shale while at an elevated temperature. Conditions are sufficient to mineralize the carbon dioxide.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2017

Maximize Liquid Oil Production from Shale Oil and Gas Condensate Reservoirs by Cyclic Gas Injection

The current technology to produce shale oil reservoirs is the primary depletion using fractured wells (generally horizontal wells). The oil recovery is less than 10%. The prize to enhance oil recovery (EOR) is big. Based on our earlier simulation study, huff-n-puff gas injection has the highest EOR potential. This project was to explore the potential extensively and from broader aspects. The huff-n-puff gas injection was compared with gas flooding, water huff-n-puff and waterflooding. The potential to mitigate liquid blockage was also studied and the gas huff-n-puff method was compared with other solvent methods. Field pilot tests were initiated but terminated owing to the low oil price and the operator’s budget cut. To meet the original project objectives, efforts were made to review existing and relevant field projects in shale and tight reservoirs. The fundamental flow in nanopores was also studied.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2012

Post Retort, Pre Hydro-treat Upgrading of Shale Oil

Various oil feedstocks, including oil from oil shale, bitumen from tar sands, heavy oil, and refin- ery streams were reacted with the alkali metals lithium or sodium in the presence of hydrogen or methane at elevated temperature and pressure in a reactor. The products were liquids with sub- stantially reduced metals, sulfur and nitrogen content. The API gravity typically increased. Sodi- um was found to be more effective than lithium in effectiveness. The solids formed when sodium was utilized contained sodium sulfide which could be regenerated electrochemically back to so- dium and a sulfur product using a "Nasicon", sodium ion conducting membrane. In addition, the process was found to be effective reducing total acid number (TAN) to zero, dramatically reduc- ing the asphaltene content and vacuum residual fraction in the product liquid. The process has promise as a means of eliminating sulfur oxide and carbon monoxide emissions. The process al- so opens the possibility of eliminating the coking process from upgrading schemes and upgrad- ing without using hydrogen.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2015

Validation Results for Core-Scale Oil Shale Pyrolysis

This report summarizes a study of oil shale pyrolysis at various scales and the subsequent development a model for in situ production of oil from oil shale. Oil shale from the Mahogany zone of the Green River formation was used in all experiments. Pyrolysis experiments were conducted at four scales, powdered samples (100 mesh) and core samples of 0.75”, 1” and 2.5” diameters. The batch, semibatch and continuous flow pyrolysis experiments were designed to study the effect of temperature (300°C to 500°C), heating rate (1°C/min to 10°C/min), pressure (ambient and 500 psig) and size of the sample on product formation. Comprehensive analyses were performed on reactants and products - liquid, gas and spent shale. These experimental studies were designed to understand the relevant coupled phenomena (reaction kinetics, heat transfer, mass transfer, thermodynamics) at multiple scales. A model for oil shale pyrolysis was developed in the COMSOL multiphysics platform. A general kinetic model was integrated with important physical and chemical phenomena that occur during pyrolysis. The secondary reactions of coking and cracking in the product phase were addressed. The multiscale experimental data generated and the models developed provide an understanding of the simultaneous effects of chemical kinetics, and heat and mass transfer on oil quality and yield. The comprehensive data collected in this study will help advance the move to large-scale in situ oil production from the pyrolysis of oil shale.

Staten, Josh↗
DOE OSTI2012

A nuclear wind/solar oil-shale system for variable electricity and liquid fuels production

The recoverable reserves of oil shale in the United States exceed the total quantity of oil produced to date worldwide. Oil shale contains no oil, rather it contains kerogen which when heated decomposes into oil, gases, and a carbon char. The energy required to heat the kerogen-containing rock to produce the oil is about a quarter of the energy value of the recovered products. If fossil fuels are burned to supply this energy, the greenhouse gas releases are large relative to producing gasoline and diesel from crude oil. The oil shale can be heated underground with steam from nuclear reactors leaving the carbon char underground - a form of carbon sequestration. Because the thermal conductivity of the oil shale is low, the heating process takes months to years. This process characteristic in a system where the reactor dominates the capital costs creates the option to operate the nuclear reactor at base load while providing variable electricity to meet peak electricity demand and heat for the shale oil at times of low electricity demand. This, in turn, may enable the large scale use of renewables such as wind and solar for electricity production because the base-load nuclear plants can provide lower-cost variable backup electricity. Nuclear shale oil may reduce the greenhouse gas releases from using gasoline and diesel in half relative to gasoline and diesel produced from conventional oil. The variable electricity replaces electricity that would have been produced by fossil plants. The carbon credits from replacing fossil fuels for variable electricity production, if assigned to shale oil production, results in a carbon footprint from burning gasoline or diesel from shale oil that may half that of conventional crude oil. The U.S. imports about 10 million barrels of oil per day at a cost of a billion dollars per day. It would require about 200 GW of high-temperature nuclear heat to recover this quantity of shale oil - about two-thirds the thermal output of existing nuclear reactors in the United States. With the added variable electricity production to enable renewables, additional nuclear capacity would be required. (authors)

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Hydrothermal Liquefaction Biocrude Compositions Compared to Petroleum Crude and Shale Oil

We provide a direct and detailed comparison of the chemical composition of petroleum crude oil (from the Gulf of Mexico), shale oil, and three biocrudes (i.e., clean pine, microalgae Chlorella sp., and sewage sludge feedstocks) generated by hydrothermal liquefaction (HTL). Ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) reveals that HTL biocrudes are compositionally more similar to shale oil than petroleum crude oil and that only a few heteroatom classes (e.g., N1, N2, N1O1, and O1) are common to organic sediment- and biomass-derived oils. All HTL biocrudes contain a diverse range of oxygen-containing compounds when compared to either petroleum crude or shale oil. Overall, petroleum crude and shale oil are compositionally dissimilar to HTL oils, and >85% of the elemental compositions identified within the positive-ion electrospray (ESI) mass spectra of the HTL biocrudes were not present in either the petroleum crude or shale oil (>43% for negative-ion ESI). Direct comparison of the heteroatom classes that are common to both organic sedimentand biomass-derived oils shows that HTL biocrudes generally contain species with both smaller core structures and a lower degree of alkylation relative to either the petroleum crude or the shale oil. Three-dimensional plots of carbon number versus molecular double bond equivalents (with observed abundance as the third dimension) for abundant molecular classes reveal the specific relationship of the composition of HTL biocrudes to petroleum and shale oils to inform the possible incorporation of these oils into refinery operations as a partial amendment to conventional petroleum feeds.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2016

A Theoretical Investigation of the Structure and Reactivity of the Molecular Constituents of Oil Sand and Oil Shale

We used a variety of small organic models of asphaltenes to investigate the molecular mechanism for the high temperature decomposition that would take place as part of the oil refinery process. We determined that the decomposition is initiated via four different types of hydrogen migration reactions. According to the energetics of the reactions, the dominant 1,2-H shift mechanism involves two competitive product channels, namely, C 2 H 2 + CH 2 CS and CS + CH 3 CCH. The minor channels include the formation of CS + CH 2 CCH 2 , H 2 S + C 4 H 2 , HCS + CH 2 CCH, CS + CH 2 CHCH, H + C 4 H 3 S, and HS + C 4 H 3 . We also investigated the alkyl substitution effect by exploring the decomposition pathways of models with alkyl arms. The energetics of such systems were very similar to that for unsubstituted model compounds, which suggests that asphaltene alkylation may not play a significant role in the decomposition of asphaltene compounds. This work was published in the Journal of Physical Chemistry A 2011, 115, 2882-2891. A MECHANISTIC STUDY OF THE 2-THIENYLMETHYL + HO2 RADICAL RECOMBINATION REACTION Radicals are molecules which contain single electrons. They are very reactive. Radical recombination reactions are important in the combustion of fuel oils. Shale oil contains radicals. We used quantum mechanics to explore the reactivity of shale oil model radical compounds. Seventeen product channels corresponding to either addition/elimination or direct hydrogen abstraction were characterized. Direct hydrogen abstraction proceeds via a weakly bonded complex, which leads to 2-methylthiophene, 2-methylene-2,3-dihydrothiophene or 2-methylene-2,5-dihydrothiophene depending upon the 2-thienylmethyl radical reaction site. The addition pathway for the two radical reactants is barrierless with the formation of three adducts, as distinguished by HO 2 reaction at three different sites on the 2-thienylmethyl radical. The addition is exothermic by 37 ~ 55 kcal mol-1 relative to the entrance channel. These excess energies are available to promote further decomposition or rearrangement of the adducts that lead to nascent products such as H, OH, H 2 O and CH 2 O. The reaction surfaces are characterized by relatively low barriers (most are lower than 10 kcal mol-1). Based upon a careful analysis of the overall barrier heights and reaction exothermicities, the formation of O2, OH and H2O is likely to be an important pathway in the radical recombination reactions of 2-thienylmethyl + HO 2 . This work was published in the Journal of Physical Chemistry A, 2011, 115, 14546-14557. REACTION OF THIOPHENE AND METHYLTHIOPHENE WITH SINGLET AND TRIPLET MOLECULAR OXYGEN Mechanisms for the reaction of thiophene and 2-methylthiophene with molecular oxygen on both the triplet and singlet potential energy surfaces (PESs) were investigated using ab initio methods. Thiophene and 2-methylthiophene where shown to react with O 2 via two types of mechanisms; namely, direct hydrogen abstraction and addition/elimination. The barriers for reaction with triplet oxygen are all significantly large (i.e., > 30 kcal mol-1), which indicates that the direct oxidation of thiophene by ground state oxygen might be important only in high temperature processes. Reaction of thiophene with singlet oxygen via a 2+4 cycloaddition leading to endoperoxides is the most favorable channel. Moreover, it was found that alkylation of the thiophene ring (i.e., methyl-substituted thiophene) is capable of lowering the barrier height for the addition pathway. The implication of the current theoretical results may shed new light on the initiation mechanisms for combustion of asphaltenes. This work was published in the Journal of Physical Chemistry A, 2012 116, 4934-4946. JAHN-TELLER STABILIZATION IN POSS CATIONS We have a long standing interest in polyoligomeric silsesquioxane (POSS) molecules. 1-2 These molecules have recently been used as advanced surface coatings for photovoltaic devices and have potential as molecular-based energy storage devices as well as magnetically controllable liquid marbles. 3-5 We have been investigating the small molecule encapsulation properties of POSS and discovered some interesting symmetry breaking processes that need to be better understood in order to use POSS in advanced materials. We have investigated this symmetry breaking mechanism in POSS monocations Si8O12(C(CH3)3)8+ and Si8O12Cl8+, using density functional theory (DFT) and group theory. Under Oh symmetry, these ions possess 2T2g and 2Eg electronic states, respectively, and undergo different symmetry breaking mechanisms. The ground states of Si 8 O 12 (C(CH 3 ) 3 ) 8 + and Si 8 O 12 Cl 8 + belong to the C 3v and D 4h point groups and are characterized by Jahn-Teller stabilization energies of 3959 and 1328 cm-1, respectively, at the B3LYP/def2-SVP level of theory. The symmetry distortion mechanism in Si 8 O 12 Cl 8 + is Jahn-Teller type, whereas in Si 8 O 12 (C(CH 3 ) 3 ) 8 + the distortion is a combination of both Jahn-Teller and pseudo-Jahn-Teller effects. The distortion force acting in Si 8 O 12 (C(CH 3 ) 3 ) 8 + is mainly localized on one Si-(tert-butyl) group while in Si 8 O 12 Cl 8 + it is distributed over the oxygen atoms. The main distortion forces acting on the Si8O12 core arise from the coupling between the electronic state and the vibrational modes; identified as 9t 2g +1e g +3a 2u for the Si 8 O 12 (C(CH 3 ) 3 ) 8 + and 1e g +2e g for Si 8 O 12 Cl 8 + . This work was published in the Journal of Physical Chemistry A, 2015, 119, 4237-4243.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2015

Development of Nuclear Renewable Oil Shale Systems for Flexible Electricity and Reduced Fossil Fuel Emissions

We propose the development of Nuclear Renewable Oil Shale Systems (NROSS) in northern Europe, China, and the western United States to provide large supplies of flexible, dispatchable, very-low-carbon electricity and fossil fuel production with reduced CO2 emissions. NROSS are a class of large hybrid energy systems in which base-load nuclear reactors provide the primary energy used to produce shale oil from kerogen deposits and simultaneously provide flexible, dispatchable, very-low-carbon electricity to the grid. Kerogen is solid organic matter trapped in sedimentary shale, and large reserves of this resource, called oil shale, are found in northern Europe, China, and the western United States. NROSS couples electricity generation and transportation fuel production in a single operation, reduces lifecycle carbon emissions from the fuel produced, improves revenue for the nuclear plant, and enables a major shift toward a very-low-carbon electricity grid. NROSS will require a significant development effort in the United States, where kerogen resources have never been developed on a large scale. In Europe, however, nuclear plants have been used for process heat delivery (district heating), and kerogen use is familiar in certain countries. Europe, China, and the United States all have the opportunity to use large scale NROSS development to enable major growth in renewable generation and either substantially reduce or eliminate their dependence on foreign fossil fuel supplies, accelerating their transitions to cleaner, more efficient, and more reliable energy systems.

Nuclear Renewable↗