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Time value of emission and technology discounting rate for off-grid electricity generation in India using intermediate pyrolysis

The environmental impact assessment of a process over its entire operational lifespan is an important issue. Estimation of life cycle emission helps in predicting the contribution of a given process to abate (or to pollute) the environmental emission scenario. Considering diminishing and time-dependent effect of emission, assessment of the overall effect of emissions is very complex. The paper presents a generalized methodology for arriving at a single emission discounting number for a process option, using the concept of time value of carbon emission flow. This number incorporates the effect of the emission resulting from the process over the entire operational lifespan. The advantage of this method is its quantitative aspect as well as its flexible nature. It can be applied to any process. The method is demonstrated with the help of an Intermediate Pyrolysis process when used to generate off-grid electricity and opting biochar route for disposing straw residue. The scenarios of very high net emission to very high net carbon sequestration is generated using process by careful selection of process parameters for different scenarios. For these different scenarios, the process discounting rate was determined and its outcome is discussed. The paper also proposes a process specific eco-label that mentions the discounting rates. - Highlight: • Methodology to obtain emission discounting rate for a process is proposed. • The method includes all components of life cycle emission converts into a time dependent discounting number. • A case study of Intermediate Pyrolysis is used to obtain such number for a range of processes. • The method is useful to determine if the effect from the operation of a process will lead to a net absorption of emission or net accumulation of emission in the environment.

54 ENVIRONMENTAL SCIENCES↗

Feedstock-Conversion Interface Consortium: Failure Mode and Effects Analysis Summary Report (FY2022)

This report provides an overview of the development of failure modes and effects analysis (FMEA) and its implementation as a systematic criticality and risk assessment tool supporting a quality by design (QbD) approach for FCIC research. This report also provides a high-level overview of the results for the FMEA evaluation of two feedstock preprocessing system configurations: (1) generation of pine residue materials for high-temperature pyrolysis conversion and (2) generation of corn stover materials for low-temperature conversion using deacetylation and disc mechanical refining pretreatment for fermentation to hydrocarbons. For the results presented in this report, our FMEA interviews included two approaches. The first approach was to perform FMEA interviews for the entire system of unit operations giving a wholistic system level view. The second approach consisted of detailed interviews for each individual unit operation within the system allowing for a “deep dive” into the specific failures for the individual components within the configuration. These two approaches provide different resolutions of information. The FMEA results of this report were focused on failures associated with meeting critical quality attributes (CQAs) identified for the target conversion processes for each processed feedstock type. The information gathered through the FMEA interviews include estimations of risk scores for meeting each given CQA specification, identification of the impacts for not meeting a CQA specification, capturing causes associated with material attributes and process parameters for each failure, identification of current detection methods, and speculation of potential mitigation strategies for decreasing a failure’s risk score. The complete results of all FMEA interviews are provided in the Appendices of this report.

09 BIOMASS FUELS↗

Failure Mode and Effects Analysis Summary Report

This report provides an overview of the development of failure modes and effects analysis (FMEA) and its implementation as a systematic criticality and risk assessment tool supporting a quality by design (QbD) approach for FCIC research. This report also provides a high-level overview of the results for the FMEA evaluation of two feedstock preprocessing system configurations: (1) generation of pine residue materials for high-temperature pyrolysis conversion and (2) generation of corn stover materials for low-temperature conversion using deacetylation and disc mechanical refining pretreatment for fermentation to hydrocarbons. For the results presented in this report, our FMEA interviews included two approaches. The first approach was to perform FMEA interviews for the entire system of unit operations giving a wholistic system level view. The second approach consisted of detailed interviews for each individual unit operation within the system allowing for a “deep dive” into the specific failures for the individual components within the configuration. These two approaches provide different resolutions of information. The FMEA results of this report were focused on failures associated with meeting critical quality attributes (CQAs) identified for the target conversion processes for each processed feedstock type. The information gathered through the FMEA interviews include estimations of risk scores for meeting each given CQA specification, identification of the impacts for not meeting a CQA specification, capturing causes associated with material attributes and process parameters for each failure, identification of current detection methods, and speculation of potential mitigation strategies for decreasing a failure’s risk score. The complete results of all FMEA interviews are provided in the Appendices of this report.

conversion↗

Estimating uncertainty in ambient and saturation nutrient uptake metrics from nutrient pulse releases in stream ecosystems

Nutrient spiraling is an important ecosystem process characterizing nutrient transport and uptake in streams. Various nutrient addition methods are used to estimate uptake metrics; however, uncertainty in the metrics is not often evaluated. A method was developed to quantify uncertainty in ambient and saturation nutrient uptake metrics estimated from saturating pulse nutrient additions (Tracer Additions for Spiraling Curve Characterization; TASCC). Using a Monte Carlo (MC) approach, the 95% confidence interval (CI) was estimated for ambient uptake lengths (S w-amb ) and maximum areal uptake rates (U max ) based on 100,000 datasets generated from each of four nitrogen and five phosphorous TASCC experiments conducted seasonally in a forest stream in eastern Tennessee, U.S.A. Uncertainty estimates from the MC approach were compared to the CIs estimated from ordinary least squares (OLS) and non-linear least squares (NLS) models used to calculate S w-amb and U max , respectively, from the TASCC method. The CIs for Sw-amb and Umax were large, but were not consistently larger using the MC method. Despite the large CIs, significant differences (based on nonoverlapping CIs) in nutrient metrics among seasons were found with more significant differences using the OLS/NLS vs. the MC method. Lastly, we suggest that the MC approach is a robust way to estimate uncertainty, as the calculation of S w-amb and U max violates assumptions of OLS/NLS while the MC approach is free of these assumptions. The MC approach can be applied to other ecosystem metrics that are calculated from multiple parameters, providing a more robust estimate of these metrics and their associated uncertainties.

54 ENVIRONMENTAL SCIENCES↗

Data-driven Alignment of the Tracker for the Mu2e Experiment

An alignment of the Mu2e Tracker is investigated using the Mu2e Offline Software and Millepede-II. Simulated misalignments of Tracker planes were inserted between Monte-Carlo event generation and before reconstruction using randomly generated $(x,y,z)$-translations and rotations of the rigid-body planes in the detector model. Cosmic ray muons, with no magnetic field present in the Detector Solenoid, will follow a straight-line trajectory. A maximum-likelihood fit is used to reconstruct a track and determine its parameters. Tracks traversing at least four planes, with ten registered straw hits, and a maximum time residual of $20$ ns are selected to be used in an alignment sample. The cuts were chosen to discard tracks with low information content, such as those with high levels of multiple scattering or those with low numbers of measurements contributing to a single track fit. Millepede-II produces the resulting alignment constants according to a simultaneous least-squares fit of the alignment parameters and the track parameters for all input tracks. The improved alignment constants are used to repeat the process and recover an increased number of suitable tracks, further improving the estimate of the alignment constants in subsequent iterations. A performance study of the process was conducted on a misaligned Tracker in the case of translation-only, and translation plus rotational misalignments. In both cases, the correct alignment constants were recovered to within statistical error after three global fit iterations. Additionally, a continuous integration system was developed for the \texttt{Mu2e/Offline} GitHub repository, introducing a convenient automated testing process for all proposed changes (``pull requests"). The tests developed included a full build of the software, followed by tests of the validation routines, geometry overlap checking, and multi-threading mode. Additionally, code quality checks and low-statistics physics comparison checks a re also available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Optical See-Through Head Mounted Display Direct Linear Transformation Calibration Robustness in the Presence of User Alignment Noise

Augmented Reality (AR) is a technique by which computer generated signals synthesize impressions that are made to coexist with the surrounding real world as perceived by the user. Human smell, taste, touch and hearing can all be augmented, but most commonly AR refers to the human vision being overlaid with information otherwise not readily available to the user. A correct calibration is important on an application level, ensuring that e.g. data labels are presented at correct locations, but also on a system level to enable display techniques such as stereoscopy to function properly [SOURCE]. Thus, vital to AR, calibration methodology is an important research area. While great achievements already have been made, there are some properties in current calibration methods for augmenting vision which do not translate from its traditional use in automated cameras calibration to its use with a human operator. This paper uses a Monte Carlo simulation of a standard direct linear transformation camera calibration to investigate how user introduced head orientation noise affects the parameter estimation during a calibration procedure of an optical see-through head mounted display.

Axholt, Magnus↗

Alternate Retrieval A-105 Application Assessment Report

This report summarizes the historical development of the Confined Sluicing End Effector (CSEE) technology as well scarification technology. We also summarize the systems integration and deployment of that technology in the Gunite and Associated Tanks (GAAT) at the Oak Ridge Reservation where the retrieval system successfully removed the remaining sludge and heel in the eight tanks for tank closure and disposition. We also summarize the lessons learned from the deployment at Oak Ridge. Simulant development and testing have been key activities for any waste retrieval effort as many of the physical properties of the waste are unknown; therefore, this report discusses a bounding series of simulants that helps to reduce uncertainty for operations. These simulants have been developed for potential Hanford waste retrieval deployment. The potential key attributes for retrieval, based upon information provided by Washington River Protection Services (WRPS), of single-shell tank A-105 are discussed along with the potential application of CSEE technology to the challenges presented by the unique nature of A-105. These unique features include a major tear in the bottom of the tank, which necessitates technologies other than past practice sluicing to be deployed to prevent further intrusion of waste into the vadose zone. In addition, significant in-tank hardware makes A-105 particular challenging. However, there appear to be a number of parameters that should be investigated through additional testing or review of prior testing that may demonstrate the applicability of the CSEE technology to A-105. Testing of the Waste Retrieval End Effector (WREE), which was based on the original CSEE design, to demonstrate the ability to remove sludge and hardpan from Tank 241-C-106 will be reviewed to determine relevance to the Tank A-105 retrieval. There may be new requirements for the deployment system that accesses the tank with the CSEE because the tank bottom may not be flat, requiring the ability to maneuver the CSEE to maintain the appropriate stand-off distance from the CSEE and the tank bottom. Finally, we provide a set of recommendations, a set of task descriptions, and a range of estimated costs for a demonstration of the technology by the end of FY17. These tasks are summarized as: Complete system-level functional requirements; Procure or access the capacity to perform; Generate simulant development and simulant testing; Develop CSEE functionality; Develop demonstration plan; Perform demonstration; Analyze and document testing results; Perform project management and engineering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Closed cycle electric discharge laser design investigation

Closed cycle CO2 and CO electric discharge lasers were studied. An analytical investigation assessed scale-up parameters and design features for CO2, closed cycle, continuous wave, unstable resonator, electric discharge lasing systems operating in space and airborne environments. A space based CO system was also examined. The program objectives were the conceptual designs of six CO2 systems and one CO system. Three airborne CO2 designs, with one, five, and ten megawatt outputs, were produced. These designs were based upon five minute run times. Three space based CO2 designs, with the same output levels, were also produced, but based upon one year run times. In addition, a conceptual design for a one megawatt space based CO laser system was also produced. These designs include the flow loop, compressor, and heat exchanger, as well as the laser cavity itself. The designs resulted in a laser loop weight for the space based five megawatt system that is within the space shuttle capacity. For the one megawatt systems, the estimated weight of the entire system including laser loop, solar power generator, and heat radiator is less than the shuttle capacity.

Baily, P. K.↗

High- χ diblock copolymers containing poly(vinylpyridine- N -oxide) segments

Block copolymers exhibiting an enhanced segregation strength due to an underlying high Flory–Huggins interaction parameter (high χ) have attracted considerable attention because of their potential of forming microphase-separated domains with very small feature sizes (<10 nm) useful for next-generation lithography. Here, we report the synthesis, characterization, and self-assembly of poly(styrene)- block -poly(2-vinylpyridine N -oxide) (PS- b -P2VPNO) and poly(styrene)- block -poly(4-vinylpyridine N -oxide) (PS- b -P4VPNO) block copolymers. These PS- b -PVPNOs were obtained from the oxidation of their precursors, poly(styrene)- block -poly(2-vinylpyridine) (PS- b -P2VP) and poly(styrene)- block -poly(4-vinylpyridine) (PS- b -P4VP), respectively. The PS- b -PVPNOs exhibit an enhanced segregation as revealed by ordered cylindrical and lamellar structures in the sub-10 nm scale from copolymers with relatively low molecular weight. The morphologies and periodicities of the ordered structures were determined by small-angle X-ray scattering, while atomic-force microscopy was used to image the self-assembly in thin films. Estimates of the changes in disorder–order transition temperature and domain spacing are derived from a theory based on the effects of dipolar interactions. All the experimentally observed morphological changes resulting from the oxidation of P2VP and P4VP precursors can be qualitatively explained in terms of an increased dipole moment of vinylpyridine N -oxide segments. Therefore, our results demonstrate that PVPNO based block copolymers are versatile candidates toward nanopatterned structures with small feature sizes critical for the future microelectronics industry and beyond.

36 MATERIALS SCIENCE↗

Atmospheric moisture fields derived by satellite observations over the tropical Pacific Ocean

Values of precipitable water are retrieved over the tropical and subtropical Pacific Ocean from TOVS infrared and microwave channel brightness temperature and OLR observations by means of stepwise linear regression. The most useful temperature and moisture sensing channels are pre-selected from sensitivity tests of a radiative transfer model. Numerous models are developed and tested against collocated radiosonde observations and Nimbus-7 SMMR precipitable water estimates. For RAOB comparisons, the best estimator used 15 TOVS predictors and captured 71.1 deg percent of the variance (+0.62 g/sq cm standard error) for column precipitable water; for precipitable water of 700-500 mb bulk layer, these values were 71.7 percent and +/- 0.17 g/sq cm. Little skill of estimated precipitable water was obtained for moisture above 500 mb. Regressions were less skillful against SMMR, unless collocation parameters were tightly controlled; SMMR was less acceptable than RAOB's because of observational drift and errors. Generally, the most skillful predictors were boundary layer brightness temperatures of TOVS channels and satellite estimated stability indices. 'Moisture channels' were hardly useful except for estimating middle and upper tropospheric moisture. Additional regression models were constructed testing the sensitivity to different observational and meteorological characteristics. Models which used some in situ observations surface observations or stabilities calculated from RAOB, were the most successful. The best of these explained 87.5 percent of the variance but the regression selected almost no TOVS channels, relying instead on conventional RAOB and surface observations. A set of four regression models were developed, stratifying atmospheric characteristics on the basis of collocated OLR values. These models improved the variance explained by 5.0 percent; the model associated with the highest OLR values (275 W/sq m less than or equal to OLR; that is, no cloud) showed only marginal skill. Precipitable water fields were generated from the best TOVS-only model for seven days in January 1983 and compared with SMMR-estimated fields. OLR fields and ECMWF precipitable water analysis. The TOVS regression model compared favorably to the SMMR analysis in amplitudes and features. It revealed more evolving synoptic signal than the ECMWF analysis. In synoptically active regions, it differed with respect to the OLR analysis, primarily because of actual differences in the vertical distribution of water vapor.

Chung, Hyosang↗

High temperature high velocity direct power extraction using an open-cycle oxy-combustion system

The implementation of oxy-fuel technology in fossil-fuel power plants may contribute to increased system efficiencies and a reduction of pollutant emissions. One technology that has potential to utilize the temperature of undiluted oxy-combustion flames is open-cycle magnetohydrodynamic (MHD) power generators. These systems can be configured as a topping cycle and provide high enthalpy, electrically conductive flows for direct conversion of electricity. This report presents the design and modeling strategies of a MHD combustor operating at temperatures exceeding 3000 K. Throughout the study, computational fluid dynamics (CFD) models were extensively used as a design and optimization tool. A lab-scale 60 kWth model was designed, manufactured and tested as part of this project. A fully-coupled numerical method was developed in ANSYS FLUENT to characterize the heat transfer in the system. This study revealed that nozzle heat transfer may be predicted through a 40% reduction of the semi-empirical Bartz correlation. Experimental results showed good agreement with the numerical evaluation, with the combustor exhibiting a favorable performance when tested during extended time periods. A transient numerical method was employed to analyze fuel injector geometries for the 60-kW combustor. The ANSYS FLUENT study revealed that counter-swirl inlets achieve a uniform pressure and velocity ratio when the ports of the injector length to diameter ratio (L/D) is 4. An angle of 115 degrees was found to increase distribution efficiency. The findings show that this oxy-combustion concept is capable of providing a high-enthalpy environment for seeding, in order to render the flow to be conductive. Based on previous findings, temperatures in the range of 2800-3000 K may enable magnetohydrodynamic power extraction. The heat loss fraction in this oxy-combustion system, based on CFD and analytical calculations, at optimal operating conditions, was estimated to be less than 10 percent. Furthermore, the heat transfer design removed approximately 7 MW/m2. The results observed in the lab-scale system were employed to develop a 1-MW scaled prototype. Scaling methods were based on critical design criteria found in similar systems, aimed at replicating combustion flow fields and reducing possible instabilities. A numerical simulation of the combustor wall was developed for a combined thermal steady model and static structural model. This combined model was developed predict combined stress parameters within the wall during testing conditions. Both models were developed within ANSYS FEA software package. The relative accuracy presented as well major performance parameters are discussed to assess the design's validity and ensure safety. The scaled prototype was manufactured through selective laser melting (SLM)-based additive manufacturing to reduce lead times and increase geometrical complexity. Additional CFD models were developed to optimize coolant manifold system parameters and perform a parametric study on channel geometry. An investigation on coolant manifold geometry demonstrated improvements in channel flow distribution when enlarging manifold lengths and increasing the number of tubes feeding into the flow. A three-dimensional model based on a single channel was developed to capture the effect of variable properties and thermal stratification. All cases in the simulation exhibited higher wall temperatures and lower convective coefficients than those determined through 1-D analytical equations. This implies that pressure and velocity safety factors must be implemented during system operation. Overall, the findings made in this investigation are thought to be of value to researchers and industrial practitioners when designing oxy-fuel direct power extraction systems operating at temperatures exceeding 3000 K. In addition to this, the implementation of the developed technology at pilot and commercial scales could result in a significant improvement in the efficiencies of heritage and next-generation power cycles.

03 NATURAL GAS↗

Energy production from waste: Evaluation of anaerobic digestion and bioelectrochemical systems based on energy efficiency and economic factors

Anaerobic digesters (AD) and bioelectrochemical systems (BES) are becoming increasingly popular technologies for the generation of renewable energy from wastes. Synergies between these technologies exist, however, configurations to couple them have been insufficiently investigated. This study compares the theoretical energy efficiencies of converting waste directly into electricity, using AD and BES alone and in various combinations. This study reviews the experimentally demonstrated energy efficiencies reported in the literature with comparisons to the maximum theoretical efficiencies, considering thermodynamic limits. Acetate is used as an ideal substrate for theoretical calculations, whereas complex wastes are used for extended analyses of practical efficiencies. In addition, to evaluate the economic potential of this technology, a brief case study was conducted using the Oak Ridge National Laboratory (ORNL) water resource recovery facility (WRRF). Sensitivity analysis was performed on several parameters in the economic model. The results of this study indicate the combined Anaerobic Digester/Microbial Electrolysis Cell (ADMEC) process may be the best path forward due to the high energy efficiency, combined with potential economic benefits, but is not at commercial readiness. We estimate energy efficiencies of 52.9% and 45.6% for the ADMEC process, using current state-of-the-technology, for converting food waste and sewage sludge to a CH 4 /H 2 mix, respectively. Finally, this study concludes with a discussion of new strategies to improve the energy efficiency of AD and BES processes.

30 DIRECT ENERGY CONVERSION↗

Phase-curve Pollution of Exoplanet Transit Depths

The next generation of space telescopes will enable transformative science to understand the nature and origin of exoplanets. In particular, transit spectroscopy will reveal the chemical composition of the exoplanet atmospheres with unprecedented detail thanks to precise measurements of the visible-to-infrared transit depths down to 10 parts per million. Such a level of instrumental precision raises the challenge to obtain even more precise astrophysical models so as not to significantly influence the interpretation of the observed data. We must therefore critically revisit some of the commonly accepted assumptions that were adequate for analyzing past and current observations. A common approximation in the analysis of exoplanetary primary transits is that the planet does not contribute to the recorded flux, so-called dark planet hypothesis. In this paper, we investigate the impact of the dark planet hypothesis on the parameters obtained from the analysis of transits with particular attention to the transit depth. We develop mathematical formulae and release new software to estimate the magnitude of the potential bias. These tools will be useful in the preparation of observing proposals, as well as within the scientific consortia of the James Webb Space Telescope (JWST) and the Atmospheric Remote-sensing Infrared Exoplanet Large-survey (ARIEL) missions. We probe the accuracy of the mathematical formulae through the analysis of synthetic observations with the JWST Mid-InfraRed Instrument. We find that self-blending from nightside emission attenuates the transit depth by >3σ for some of the known exoplanet systems, in agreement with previous work. An additional unreported effect caused by the nightside rotating into view can also impart a significant effect, but in the opposite direction (increasing the transit depth); this effect can largely be removed with conventional detrending practices, at the expense of a slight increase in noise, and mixing astrophysical variations and instrumental drifts.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA Tech Briefs, May 2012

Topics covered include: An "Inefficient Fin" Non-Dimensional Parameter to Measure Gas Temperatures Efficiently; On-Wafer Measurement of a Multi-Stage MMIC Amplifier with 10 dB of Gain at 475 GHz; Software to Control and Monitor Gas Streams; Miniaturized Laser Heterodyne Radiometer (LHR) for Measurements of Greenhouse Gases in the Atmospheric Column; Anomaly Detection in Test Equipment via Sliding Mode Observers; Absolute Position of Targets Measured Through a Chamber Window Using Lidar Metrology Systems; Goldstone Solar System Radar Waveform Generator; Fast and Adaptive Lossless Onboard Hyperspectral Data Compression System; Iridium Interfacial Stack - IrIS; Downsampling Photodetector Array with Windowing; Optical Phase Recovery and Locking in a PPM Laser Communication Link; High-Speed Edge-Detecting Line Scan Smart Camera; Optical Communications Channel Combiner; Development of Thermal Infrared Sensor to Supplement Operational Land Imager; Amplitude-Stabilized Oscillator for a Capacitance-Probe Electrometer; Automated Performance Characterization of DSN System Frequency Stability Using Spacecraft Tracking Data; Histogrammatic Method for Determining Relative Abundance of Input Gas Pulse; Predictive Sea State Estimation for Automated Ride Control and Handling - PSSEARCH; LEGION: Lightweight Expandable Group of Independently Operating Nodes; Real-Time Projection to Verify Plan Success During Execution; Automated Performance Characterization of DSN System Frequency Stability Using Spacecraft Tracking Data; Web-Based Customizable Viewer for Mars Network Overflight Opportunities; Fabrication of a Cryogenic Terahertz Emitter for Bolometer Focal Plane Calibrations; Fabrication of an Absorber-Coupled MKID Detector; Graphene Transparent Conductive Electrodes for Next- Generation Microshutter Arrays; Method of Bonding Optical Elements with Near-Zero Displacement; Free-Mass and Interface Configurations of Hammering Mechanisms; Wavefront Compensation Segmented Mirror Sensing and Control; Long-Life, Lightweight, Multi-Roller Traction Drives for Planetary Vehicle Surface Exploration; Reliable Optical Pump Architecture for Highly Coherent Lasers Used in Space Metrology Applications; Electrochemical Ultracapacitors Using Graphitic Nanostacks; Improved Whole-Blood-Staining Device; Monitoring Location and Angular Orientation of a Pill; Molecular Technique to Reduce PCR Bias for Deeper Understanding of Microbial Diversity; Laser Ablation Electrodynamic Ion Funnel for In Situ Mass Spectrometry on Mars; High-Altitude MMIC Sounding Radiometer for the Global Hawk Unmanned Aerial Vehicle; PRTs and Their Bonding for Long-Duration, Extreme-Temperature Environments; Mid- and Long-IR Broadband Quantum Well Photodetector; 3D Display Using Conjugated Multiband Bandpass Filters; Real-Time, Non-Intrusive Detection of Liquid Nitrogen in Liquid Oxygen at High Pressure and High Flow; Method to Enhance the Operation of an Optical Inspection Instrument Using Spatial Light Modulators; Dual-Compartment Inflatable Suitlock; Large-Strain Transparent Magnetoactive Polymer Nanocomposites; Thermodynamic Vent System for an On-Orbit Cryogenic Reaction Control Engine; Time Distribution Using SpaceWire in the SCaN Testbed on ISS; and Techniques for Solution- Assisted Optical Contacting.

Source record↗

Probabilistic Risk Assessment of CO2 Trapping Mechanisms in a Sandstone CO2-EOR Field in Northern Texas, USA

This study employs a polynomial chaos expansion (PCE) technique to develop the reduced order models (ROMs) integrated with the Monte Carlo simulations to quantify uncertainties of CO 2 storage associated with enhanced oil recovery (EOR) in a commercial-scale CO 2 -EOR field. The Morrow B sandstone at the Farnsworth Unit (FWU) EOR field in northern Texas was selected as a case study. A 3-D reservoir model, including simulation of a five-spot injection/production well pattern, was constructed based on the data from well logs and cores, and an updated seismic interpretation in the FWU. Porosity and permeability were considered as sources of uncertainty. The 1000-realization heterogeneous random fields of porosity and permeability were generated based on the variogram analysis on the core measurements of the FWU. Three model outputs of interest include the amount of CO 2 trapped by three trapping mechanisms, i.e. hydrodynamic trapping, oil dissolution trapping, and aqueous dissolution trapping. The total of 25 runs were conducted with the simulations of a 20-year CO 2 -EOR period, and a 20-year monitoring period to develop the ROMs between uncertain model input parameters (i.e., porosity and permeability in this study) and model outputs at the end of simulation for each grid cell using PCE approach. The high coefficient of determination (R 2 ) and small normalized root mean square error (NRMSE) between the simulated (using reservoir modeling) and predicted (using ROMs) CO 2 storage indicate that the ROMs are acceptable and reliable to be used for the predictions. Given the 1000 Monte Carlo samplings of the model input parameters, cumulative distribution functions (CDFs) and uncertainty bounds (10 th and 90 th percentiles) of model outputs were estimated based on ROMs. At the end of simulation, the most injected CO 2 at the FWU was stored by hydrodynamic trapping (between 121,400 and 166,860 tonnes), followed by oil dissolution trapping (between 55,303 and 76,816 tonnes), and aqueous dissolution trapping (between 1979 and 2751 tonnes).

58 GEOSCIENCES↗

Characterization of shale using Helium and Argon at high pressures

In order to estimate the shale gas in place and the eventual recovery during shale gas operations, one of the key requirements is to accurately characterize the shale’s petrophysical and transport properties such as porosity, permeability, diffusivity, and storage capacity. Despite the many efforts reported in the technical literature aiming to provide an improved understanding of the complex pore structures and the associated fluid flow in gas shales, complete characterization of organic-rich shale samples still poses a big challenge. Here, we have characterized mass transfer and sorption in shale at different length scales using Helium (He) and Argon (Ar) as probe gases. Thermogravimetric analysis (TGA) with a shale cube of ~1 cm 3 in size and gas expansion experiments with a full-diameter core (3.5” in diameter) were used to measure sorption kinetics/isotherms and mass transfer, respectively. Both samples are from the same depth/location in the Marcellus shale formation. The TGA steady-state technique was initially used to generate excess sorption isotherms for Ar, while dynamic TGA experiments were used to study its sorption kinetics. The TGA experiments demonstrate that Ar, which has a similar sorption potential as Methane, but is generally assumed to be inert, adsorbs onto the surfaces of the mesoporous and microporous regions of the shale samples according to a Langmuir-type behavior. Helium expansion experiments, on the full-diameter core, were used to measure the overall porosity, on the basis that He is a non-sorbing and inert gas as compared to Ar. The He expansion experiments, furthermore, allow us to delineate the mass transfer of gas across the inherent hierarchy of pore sizes, including macropores (macro- and microcracks), mesopores and micropores. Similar expansion experiments were also performed with Ar to study the combined impact of mass transfer and sorption. A triple-porosity model (TPM) was utilized to interpret the He expansion experiments with the shale core and to extract (estimate) relevant transport parameters. We report and compare here the diffusivities and permeabilities of the whole core for both He and Ar, as calculated from the modeling and fitting of the experimental data. On the premise that the shale cube is representative of the matrix region of the core, the Ar sorption kinetics from the cube experiments were subsequently combined with the transport parameters extracted from the He experiments to predict the behavior of the Ar expansion test with the full-diameter core. An excellent agreement is observed between the model predictions and the experimental data. The experimental observations and their interpretation indicate that one must be cautious when using Ar to estimate the true porosity and permeability of shales. In addition, we demonstrate that He and Ar probe gases, when used in tandem, can be employed effectively as a tool to characterize shales in terms of mass transfer and sorption dynamics across scales.

04 OIL SHALES AND TAR SANDS↗

The second-generation Shifted Boundary Method and its numerical analysis

Recently, the Shifted Boundary Method (SBM) was proposed within the class of unfitted (or immersed, or embedded) finite element methods. By reformulating the original boundary value problem over a surrogate (approximate) computational domain, the SBM avoids integration over cut cells and the associated problematic issues regarding numerical stability and matrix conditioning. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions. Hence the name of the method, that shifts the location and values of the boundary conditions. In this article, we present enhanced variational SBM formulations for the Poisson and Stokes problems with improved flexibility and robustness. These simplified variational forms allow to relax some of the assumptions required by the mathematical proofs of stability and convergence of earlier implementations. First, we show that these new SBM implementations can be proved asymptotically stable and convergent even without the rather restrictive assumption that the inner product between the normals to the true and surrogate boundaries is positive. Second, we show that it is not necessary to introduce a stabilization term involving the tangential derivatives of the solution at Dirichlet boundaries, therefore avoiding the calibration of an additional stabilization parameter. Finally, we prove enhanced L 2 -estimates without the cumbersome assumption – of earlier proofs – that the surrogate domain is convex. Instead we rely on a conventional assumption that the boundary of the true domain is smooth, which can also be replaced by requiring convexity of the true domain. The aforementioned improvements open the way to a more general and efficient implementation of the Shifted Boundary Method, particularly in complex three-dimensional geometries. We complement these theoretical developments with numerical experiments in two and three dimensions.

42 ENGINEERING↗

A probabilistic economic and environmental impact assessment of a cyanobacteria-based biorefinery

Microbial based biofuels represent a potential promising solution as an environmentally favorable transportation fuel. Cyanobacteria have many of the same advantages as microalgae: ability for rapid growth in otherwise non-arable regions, suitability for genetic engineering, and simple nutritional needs. Additionally, cyanobacteria can be engineered to secrete valuable co-products that can be harvested independent from the produced biomass. However, little work has been done to identify the processes and the economic and environmental impacts associated with a large-scale cyanobacteria-to-fuels facility. The present study is a concurrent techno-economic and life cycle assessment of a facility that generates fuels and methyl laurate, an oleochemical, from the cyanobacterial species Synechocystis sp. PCC 6803. Here, the biorefinery model includes all aspects of cultivation, separation of the secreted methyl laurate, biomass harvesting and fuel processing via hydrothermal liquefaction (HTL) of the dewatered biomass. The assessments leverage Monte Carlo analysis (MCA) to address uncertainty and variability inherent in the most significant input parameters, replacing them with probabilistic functions. For the facility configuration producing both fuels and the oleochemical co-product, the MCA average minimum fuel selling price (MFSP) is $\$2.47$ per decimeter (dm 3 ) or $\$9.34$ per gallon of gasoline equivalent (gge) with the corresponding average global warming potential determined to be 118 g CO 2 -eq-MJ -1 . The case producing only fuels results in an MCA average MFSP of $\$2.01$-(dm 3 ) -1 ($\$7.60$-gge -1 ) and an average environmental impact of 100 g CO 2 -eq-MJ -1 . These results are compared to static optimistic and conservative scenario analysis estimates, illustrating the over- and under-estimation of outcomes associated with non-stochastic methods. Suggested facility improvements include increases in pond productivity of both the biomass and methyl laurate oil production, as well as improvements to carbon utilization and bio-crude yield from HTL processing.

09 BIOMASS FUELS↗