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DOE OSTI2019

Process Modeling and Techno-Economic Analysis of a CO 2 Capture Process Using Fixed Bed Reactors with a Microencapsulated Solvent

A detailed model of a capsule containing sodium carbonate solution is developed here to study the microencapsulated carbon capture solvents (MECS). A rigorous vapor–liquid equilibrium model is developed for the Na 2 CO 3 –CO 2 –H 2 O system, where liquid-phase nonideality is modeled by the electrolyte nonrandom two-liquid model. The data from the experiments conducted at the Lawrence Livermore National Laboratory is used to obtain a maximum likelihood estimate of the initial solvent concentration inside the capsules and the parameters for the capsule model. A nonisothermal, dynamic model of a fixed bed contactor filled with these capsules is then developed. In addition to direct steam injection, indirect heating using an embedded heat exchanger is modeled for desorption. Finally, the model is used to simulate temperature swing absorption and desorption cycles. The results of these studies indicate that there is an optimal residence time or superficial flue gas velocity to minimize the bed volume. However, the total energy requirement for desorption monotonically decreases with increased residence time as the proportion of the sensible heat to the total regeneration heat keeps decreasing. Furthermore, heat recovery from the bed is crucial to keep energy penalty for regeneration low. A techno-economic analysis is conducted, and the equivalent annual operating cost (EAOC) is analyzed for two different reactor materials (concrete and carbon-steel) and compared with a system using a conventional monoethanolamine (MEA) solvent. In this work, the minimum EAOC for the MECS fixed bed configuration is approximately 1.8–2.7 times higher than the EAOC for an MEA system with a similar amount of heat recovery (85%). The impact of ±50% uncertainty in the capital cost estimate is also evaluated, and the minimum EAOC is 1.5 times higher than the MEA technology for 85% heat recovery. These results using microencapsulated sodium carbonate solution are a starting point that sets an upper limit on the cost of the MECS carbon-capture system. Improvements to the MECS capsules (e.g., using a higher carbonate concentration and lowering the shell mass transfer resistance) and also exploring other contactor technologies are expected to decrease the system cost and make it more competitive.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2021

Effect of Nanoscale Ce 0.8 Gd 0.2 O 2–δ Infiltrant and Steam Content on Ni–(Y 2 O 3 ) 0.08 (ZrO 2 ) 0.92 Fuel Electrode Degradation during High-Temperature Electrolysis

Studies of Ni–yttria-stabilized zirconia (YSZ) fuel electrode degradation mechanisms in solid oxide electrolysis cells (SOECs) are complicated by the different possible Ni–YSZ microstructures and compositions, and the variations in the H 2 /H 2 O ratio encountered in an electrolysis stack. Here, in this study, we describe a life testing scheme aimed at providing survey results on degradation as a function of the H 2 O–H 2 composition, with life tests carried out at five different steam contents from 90% to 10%. A Ni–YSZ-supported symmetric cell geometry is employed both with and without infiltrated nanoscale gadolinia-doped ceria (GDC). Impedance spectroscopy is utilized to observe changes in electrochemical characteristics during the life test, and a transmission-line-based equivalent circuit is used to model the data. Post-test electrode microstructures were observed. The results suggest that the GDC infiltrant reduces the electrode polarization resistance and provides more stable electrode polarization over a range of conditions.

08 HYDROGEN↗

DOE OSTI2015

Recovery Act. Demonstration of a Pilot Integrated Biorefinery for the Efficient, Direct Conversion of Biomass to Diesel Fuel

The Renewable Energy Institute International, in collaboration with Greyrock Energy and Red Lion Bio-Energy (RLB) has successfully demonstrated operation of a 25 ton per day (tpd) nameplate capacity, pilot, pre-commercial-scale integrated biorefinery (IBR) plant for the direct production of premium, “drop-in”, synthetic fuels from agriculture and forest waste feedstocks using next-generation thermochemical and catalytic conversion technologies. The IBR plant was built and tested at the Energy Center, which is located in the University of Toledo Medical Campus in Toledo, Ohio.

03 NATURAL GAS↗

DOE OSTI2023

Trace Element Sampling and Partitioning Modeling to Estimate Wastewater Composition and Treatment Performance at Coal Generators

The coal combusted at coal-fired power plants (CFPPs) contains several trace elements that impact human heath if released to the environment. Effective combinations of air pollution control devices (APCDs) and water pollution control devices (WPCDs) are critical to reducing these impacts. This work sampled pulverized CFPPs owned and operated by Louisville Gas & Electricity – Kentucky Utilities (LGE-KU) during baseload and cycling conditions. Next, an open-source and easy-to-implement trace element partitioning model was developed using publicly available datasets, literature studies of trace element partitioning, and sampling data to estimate trace element partitioning in APCDs to the gas, liquid, and solid phases exiting CFPPs. These estimates of the liquid phase trace element concentration in FGD wastewater were then used to estimate trace element behavior in WPCDs and evaluate treated wastewater effluent concentrations for compliance with the Effluent Limitation Guidelines (ELG) for the Steam Electric Generating Sector. Finally, cost estimates were developed for established and emerging wastewater treatment trains to identify the most cost-effective approaches for ELG compliance.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS1980

Cogeneration Technology Alternatives Study (CTAS). Volume 3: Industrial processes

Cogenerating electric power and process heat in single energy conversion systems rather than separately in utility plants and in process boilers is examined in terms of cost savings. The use of various advanced energy conversion systems are examined and compared with each other and with current technology systems for their savings in fuel energy, costs, and emissions in individual plants and on a national level. About fifty industrial processes from the target energy consuming sectors were used as a basis for matching a similar number of energy conversion systems that are considered as candidate which can be made available by the 1985 to 2000 time period. The sectors considered included food, textiles, lumber, paper, chemicals, petroleum, glass, and primary metals. The energy conversion systems included steam and gas turbines, diesels, thermionics, stirling, closed cycle and steam injected gas turbines, and fuel cells. Fuels considered were coal, both coal and petroleum based residual and distillate liquid fuels, and low Btu gas obtained through the on site gasification of coal. An attempt was made to use consistent assumptions and a consistent set of ground rules specified by NASA for determining performance and cost. Data and narrative descriptions of the industrial processes are given.

Palmer, W. B.↗

DOE OSTI2014

Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrational basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Simulation of Boiling Two-Phase Flow in a Helical Coil Steam Generator Using the Spectral Element Code Nek-2P

To enable the design of a light water small modular reactor, the boiling flow inside a helical coil steam generator has been simulated with the two-fluid model in Nek-2P. Nek-2P is the multiphase branch of the spectral element code Nek5000. Details of the implementation of the two-fluid model and the included closure models are discussed. The presented closure models include interactions for momentum, heat, and mass transfer between phases. Models for the drag, lift, and turbulent dispersion forces are included. The complete model is fully consistent in the limits of both phasic volume fractions approaching zero and is able to simulate flows of dispersed vapor, continuous liquid, dispersed liquid, continuous vapor, or any combination thereof. The closure models and their implementation in Nek-2P have been validated by comparing to experimental data for a boiling flow, demonstrating excellent agreement. Results from the simulation of the helical coil indicate strong phasic separation driven by the effects of buoyancy and inertia. Finally, significant differences were observed in the results compared to simulations performed using Star-CCM+, although these differences were somewhat expected.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Dynamic Behavior of Oval-Twisted Helical Tube Heat Exchanger: Numerical Study with RELAP5-3D

Convective heat transfer characteristics and theoretical thermal stress behaviors are numerically calculated using RELAP5-3D for the helical-coiled once-through steam generator (H-OTSG) and the novel heat exchanger design known as the oval-twisted helically coiled heat exchanger (OTHCHX) under (1) fluctuating wall temperature conditions, (2) square-wave pulsating flow conditions, and (3) the combined effects of fluctuating wall temperature and square-wave pulsating flow conditions. Heat transfer coefficient models for the H-OTSG and OTHCHX were developed based on existing data and implemented into RELAP5-3D, successfully capturing the N⁢uavg behavior within 8% to 10% of the reported data. Under fluctuating wall temperature conditions, the OTHCHX displayed higher N⁢u avg behavior than the H-OTSG. As 𝑓 increased, the $𝜎^{𝑚⁢𝑎⁢𝑥}_{𝑡⁢ℎ}$ decreased. The $𝜎^{𝑚⁢𝑎⁢𝑥}_{𝑡⁢ℎ}$ was higher for the OTHCHX than for the H-OTSG under fluctuating wall temperature conditions. Under pulsating flow conditions, the H-OTSG and OTHCHX displayed much higher 𝑁⁢𝑢 𝑎𝑣𝑔 than under constant flow conditions. The H-OTSG displayed a higher $𝜎^{𝑚⁢𝑎⁢𝑥}_{𝑡⁢ℎ}$ over the OTHCHX. Under combined fluctuating wall temperature and pulsating flow conditions, the augmented heat transfer behavior from the pulsating flow was counteracted by the wall temperature fluctuations, producing slightly higher 𝑁⁢𝑢 𝑎𝑣𝑔 over constant wall temperature, constant flow conditions, but much lower than only constant pulsating flow under constant wall temperature conditions. The effects of simultaneous wall temperature fluctuations and square-wave pulsating flow caused higher $𝜎^{𝑚⁢𝑎⁢𝑥}_{𝑡⁢ℎ}$ than that of only wall temperature fluctuations or pulsating flow. As the Reynolds number (Re) increased, $𝜎^{𝑚⁢𝑎⁢𝑥}_{𝑡⁢ℎ}$ increased. However, when 𝑓=𝑓$_{\dot{m}}$, the $𝜎^{𝑚⁢𝑎⁢𝑥}_{𝑡⁢ℎ}$ showed decreasing values as Re increased. In conclusion, the results indicate that thermal-fluid resonance can help mitigate thermal stresses.

Thermal stress↗

NASA NTRS2005

Mars Geological Province Designations for the Interpretation of GRS Data

Introduction: An overarching geologic theory, GEOMARS, coherently explains many otherwise anomalous aspects of the geological history of Mars. Premises for a theory of martian geologic evolution include: (1) Mars is a water-rich terrestrial planet, (2) terrestrial planets should evolve through progressive stages of dynamical history (accretion, differentiation, tectonism) and mantle convection (magma ocean, plate tectonism, stagnant lid), and (3) the early history of Earth affords an analogue to the evolution of Mars. The theory describes the following major stages of evolution for Mars (from oldest to youngest): Stage 1 - shortly after accretion, Mars differentiates to a liquid metallic core, a mantle boundary (MBL) of high-pressure silicate mineral phases, upper mantle, magma ocean, thin komatiic crust, and convecting steam atmosphere; Stage 2- Mars cools to condense its steam atmosphere and transform its mode of mantle convection to plate tectonism; subduction of waterrich oceanic crust initiates arc volcanism and transfers water, carbonates and sulfates to the mantle; Stage 3 - the core dynamo initiates, and the associated magnetosphere leads to conditions conducive to the development of near-surface life and photosynthetic production of oxygen; Stage 4 - accretion of thickened, continental crust and subduction of hydrated oceanic crust to the mantle boundary layer and lower mantle of Mars occurs; Stage 5 - the core dynamo stops during Noachian heavy bombardment while plate tectonism continues; Stage 6 - initiation of the Tharsis superplume (approx. between 4.0 and 3.8Ga) occurs, and Stage 7 - the superlume phase (stagnant-lid regime) of martian planetary evolution with episodic phases of volcanism and water outflows continues into the present. The GEOMARS Theory is testable through a multidisciplinary approach, including utilizing GRS-based information. Based on a synthesis of published geologic, paleohydrologic, topographic, geophysical, spectral, and elemental information, we have defined geologic provinces that represent significant windows into the geological evolution of Mars, unfolding the GEOMARS Theory and forming the basis for interpreting GRS data.

Dohm, J. M.↗

DOE OSTI2020

Integral LOCA fragmentation test on high-burnup fuel

Increasing the fuel burnup limit in light water reactors is sought to enhance fuel cycle economics and requires establishing a technical basis. Experimental observations of severe fuel fragmentation under loss-of-coolant-accident conditions at Halden and Studsvik had raised the need for additional considerations during the development of this technical basis. These test data suggested that the burnup threshold for high burnup fuel fragmentation may be influenced by pre-transient power. Additional loss-of-coolant-accident test data is therefore valuable to complement these tests and enhance the current state of understating. Oak Ridge National Lab has developed the Severe Accident Test Station capable of examining the oxidation kinetics and accident response of irradiated fuel and cladding materials for design basis accident and beyond design basis accident scenarios. Severe Accident Test Station provides various temperature profiles, steam, and the thermal shock conditions necessary for integral loss of coolant accident testing, defueled oxidation quench testing, and high-temperature beyond design basis accident testing. Severe Accident Test Station has been successfully installed and demonstrated in the Irradiated Fuels Examination Laboratory at Oak Ridge National Lab. Furthermore, descriptions of the in-cell re-fabrication capabilities and assembly of the loss-of-coolant-accident test train are provided. Installation of the Severe Accident Test Station system and in-cell re-fabrication restores United States capability to examine postulated and extended loss-of-coolant-accident conditions on spent fuel and cladding and provides a platform for evaluating advanced fuel and accident-tolerant fuel cladding concepts. Lastly, three in-cell integral loss-of-coolant-accident test were performed in the Severe Accident Test Station and compared to the Nuclear Regulatory Commission sponsored loss-of-coolant-accident test as well as the original loss-of-coolant-accident test performed at Argonne National Lab. Finally, the results of these tests as well as all publicly available integral loss-of-coolant-accident test were used to validate a threshold for high burnup fuel fragmentation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Terry Turbopump Expanded Operating Band Modeling and Full-Scale Test Development Efforts in FY19 (Progress Report)

The Terry Turbine Expanded Operating Band Project is currently conducting testing at Texas A&M University, and the resulting data has been incorporated into MELCOR models of the Terry turbines used in nuclear power plants. These improved models have produced improvements in the Fukushima Daiichi Unit 2 simulations while providing new insights into the behavior of the plant. The development of future experimental test efforts is ongoing. Development of and refinements to the plans for full-scale steam and steam-water turbine ingestion testing has been performed. These full-scale steam-based tests will complement the testing occurring at Texas A&M University, and will resolve the remaining questions regarding scale or working fluid. Planning work has also begun for future testing intended to explore the uncontrolled RCIC self-regulation theorized to have occurred in Fukushima Daiichi Unit 2.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Leveraging Existing Assets for Long Duration Energy Storage

Increased renewables penetration to electrical grid is necessary to reduce overall emissions from the electrical power generation sector. Nonetheless, its integration creates challenges to grid operators who must match the power being generated by intermittent renewables and other traditional energy sources with the demand from consumers, while ensuring the reliability and power quality for the entire system. Energy storage has been proposed as an alternative to natural gas peaking plants and a form to deliver excess renewable energy generation at times of peak demand. For energy storage to provide benefits to end customers (energy consumers), it must be reliable, efficient, and cost effective. The Illinois Sustainable Technology Center (ISTC), one of the surveys that integrate the Prairie Research Institute (PRI), aims to develop a Center for Energy Storage at Existing Assets (CESEA) at UIUC with the participation of Waste Pressure Corp and Ecotek Engineering USA LLC. CESEA will focus on LDES systems that can integrate to existing infrastructure in a manner that reduces the initial capital expenditure and demonstrates the ability to repurpose fossil assets that would otherwise become stranded, to serve the energy transition. CESEA aims to leverage UIUC’s unique facilities to validate LDES systems performance at a relevant operating environment. UIUC’s facilities include a 85-MW combined heat and power (CHP) power plant, two (2) solar PV plants totaling over 18 MWdc of installed capacity, an electrical grid along with a substation at transmission and distribution voltages, a 22-mile gas pipeline network operating at two pressure levels, along with steam and chilled water distribution networks. The new LDES systems will connect to the existing UIUC grid through a new test electrical station, which will have the capacity to accommodate additional connections to test new devices and technologies as part of future CESEA R&D activities. The test electrical station will contain meters, instrumentation, and controls to accurately capture data and allow optimization of control algorithms. CESEA will initially focus on technologies that: i) utilize existing equipment or facilities to perform at least one of the process steps in LDES (charging, storage, or discharging), ii) leverage mature or commercially available components or controls, iii) show potential for cost-leadership in 10+ hour storage at a commercial scale. Initial technologies that were identified to meet these criteria include Compressed Gas Energy Storage (CGES), and TES. CGES stores electricity by raising the pressure of a compressible gas inside a control volume and converting the stored energy to electricity via expansion-generation. CGES is a generalization of CAES that covers any working gas (not just air). A successful CGES demo will help to circumvent many challenges faced by CAES (long development times due to site prospecting, high cost of compression and storage, heat recovery management, etc.) by: 1) utilizing existing infrastructure (compressors, pipelines, underground storage or pressure vessels) used in the transportation and storage of industrial gases for LDES charging and storage; 2) deploying over sites already-developed for industrial applications with minor additional work; 3) leveraging the price structure of commercial industrial gas to cover the costs of electricity used during charging. A previous DOE-sponsored conceptual study (DE-FE-0032018) estimated the levelized cost of energy of a 1.1 MW / 17 MWh CGES system at $0.08/kWh, with a commercial 10x scale system cost estimated at <$0.04/kWh (Giardinella, 2022). The pilot-sized system was estimated to avoid up to 2693 tons of CO2/year.

25 ENERGY STORAGE↗

NASA NTRS2010

Altitude Testing of Large Liquid Propellant Engines

The National Aeronautics and Space Administration entered a new age on January 14, 2004 with President Bush s announcement of the creation the Vision for Space Exploration that will take mankind back to the Moon and on beyond to Mars. In January, 2006, after two years of hard, dedicated labor, engineers within NASA and its contractor workforce decided that the J2X rocket, based on the heritage of the Apollo J2 engine, would be the new engine for the NASA Constellation Ares upper stage vehicle. This engine and vehicle combination would provide assured access to the International Space Station to replace that role played by the Space Shuttle and additionally, would serve as the Earth Departure Stage, to push the Crew Excursion Vehicle out of Earth Orbit and head it on a path for rendezvous with the Moon. Test as you fly, fly as you test was chosen to be the guiding philosophy and a pre-requisite for the engine design, development, test and evaluation program. An exhaustive survey of national test facility assets proved the required capability to test the J2X engine at high altitude for long durations did not exist so therefore, a high altitude/near space environment testing capability would have to be developed. After several agency concepts the A3 High Altitude Testing Facility proposal was selected by the J2X engine program on March 2, 2007 and later confirmed by a broad panel of NASA senior leadership in May 2007. This facility is to be built at NASA s John C. Stennis Space Center located near Gulfport, Mississippi. 30 plus years of Space Shuttle Main Engine development and flight certification testing makes Stennis uniquely suited to support the Vision For Space Exploration Return to the Moon. Propellant handling infrastructure, engine assembly facilities, a trained and dedicated workforce and a broad and varied technical support base will all ensure that the A3 facility will be built on time to support the schedule needs of the J2X engine and the ultimate flight of the first Ares I vehicle. The A3 facility will be able to simulate pre-ignition altitude from sea-level to 100,000 feet and maintain it up to 650 seconds. Additionally the facility will be able to accommodate initial ignition, shutdown and then restart test profiles. A3 will produce up to 5000 lbm/sec of superheated steam utilizing a Chemical Steam generation system. Two separate inline steam ejectors will be used to produce a test cell vacuum to simulate the 100,000 ft required altitude. Operational capability will ensure that the facility can start up and shutdown without producing adverse pressure gradients across the J2X nozzle. The facility will have a modern thrust measurement system for accurate determination of engine performance. The latest advances in data acquisition and control will be incorporated to measure performance parameters during hotfire testing. Provisions are being made in the initial design of the new altitude facility to allow for testing of other, larger engines and potential upper stage launch vehicles that might require vacuum start testing of the engines. The new facility at Stennis Space Center will be complete and ready for hotfire operations in late 2010.

Maynard, Bryon T.↗

DOE OSTI2016

FUEL PERFORMANCE MODELING OF FECRAL CLADDING FAILURE DURING LOSS OF COOLANT CONDITIONS

Accident tolerant materials are defined as those that provide significantly increased response time in the event of an accident while providing similar or improved performance as the conventional UO2/Zircaloy-4 fuel rods during normal operation. One avenue for materials to demonstrate enhanced accident tolerance is to have improved reaction (e.g., oxidation) kinetics with steam, resulting in slower hydrogen (or other combustible gases) generation rate, while maintaining acceptable thermo-mechanical properties, fuel-clad interactions, and fission product behavior. Due to their improved reaction kinetics with steam compared to Zircaloy-4, iron-chromium-aluminum (FeCrAl) alloys are being considered as an accident tolerant cladding material. In order to determine whether FeCrAl alloys are indeed accident tolerant materials, comparisons between conventional zirconium-based claddings under accident conditions is required. To this end, we have developed a burst (failure) criterion for FeCrAl using existing experimental data for first-generation alloys. This model was incorporated into the BISON fuel performance code to perform comparative studies with Zircaloy-4 cladding tubes under non-oxidizing and oxidizing LOCA conditions. The separate effects LOCA conditions considered were adopted from the PUZRY and REBEKA test series. Due to the fact that FeCrAl alloys have a larger thermal absorption cross-section and higher stiffness than Zircaloy-4, cladding thickness will be smaller for FeCrAl than for Zircaloy-4. Three different cladding thicknesses were analyzed in this work. The results indicate that for both non-oxidizing (PUZRY) and oxidizing (REBEKA) LOCA conditions, FeCrAl has similar burst behavior (i.e., time to burst and pressure at burst) as Zircaloy-4. It should be noticed that this study used data for first-generation FeCrAl alloys to develop the burst criterion. Although no burst data?currently exists for C35M (a second-generation FeCrAl alloy under development at Oak Ridge National Laboratory), improved burst behavior is anticipated. As burst data for C35M becomes available the burst criterion will be updated and the simulations revisited to determine the accident tolerance of second-generation FeCrAl alloys.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Fuel performance modeling of FeCrAl cladding failure during loss of coolant conditions

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Model quantification of the effect of coproducts and refinery co-hydrotreating on the economics and greenhouse gas emissions of a conceptual biomass catalytic fast pyrolysis process

Here we present model results for a scaled-up conceptual process informed by bench scale biomass catalytic fast pyrolysis (CFP) and hydrotreating experimental data. This process uses a Pt/TiO 2 catalyst during CFP, which produces a partially deoxygenated organic biocrude intermediate that is then hydroprocessed to a hydrocarbon fuel blendstock; the catalyst also enables high yields of acetone and methyl-ethyl-ketone (MEK) coproducts. Two options for hydroprocessing were modeled: (A) co-hydrotreating at a petroleum refinery using hydrogen sourced from steam reforming of natural gas and (B) standalone hydrotreating at a biorefinery using hydrogen sourced from CFP off gases. The results revealed that Case A was economically advantageous with a modeled minimum fuel selling price (MFSP) of $\$$2.83/GGE or gallon gasoline equivalent (in 2016 US dollars), while the additional cost of standalone hydrotreating facilities in Case B increased the MFSP to $3.13/GGE. Conversely, greenhouse gas (GHG) emissions were lower for Case B (3.9 g CO 2 e/MJ) compared to Case A (21.5 g CO 2 e/MJ) due to the use of biogenic (Case B) and fossil-derived (Case A) hydrogen. In a third option (Case C), the requirements for separation and purification of acetone and MEK were removed from the refinery co-processing scenario (Case A) to evaluate the impacts of this process simplification. Elimination of these coproducts increased the MFSP to $3.21/GGE and GHG emissions to 35 g CO 2 e/MJ. These comparisons based on our detailed conceptual models provide economic and sustainability guidance regarding processing choices for future biorefineries. While refinery coprocessing using existing equipment and the production of relatively valuable coproducts can benefit the economics, the hydrogen-source and biogenic coproducts can have significant impacts on the sustainability of the process, and feasibility to use CFP off-gases or other renewable sources for hydrogen production can help lower GHG emissions.

09 BIOMASS FUELS↗

DOE OSTI2014

CFD Simulations of a Regenerative Process for Carbon Dioxide Capture in Advanced Gasification Based Power Systems

This project describes the work carried out to prepare a highly reactive and mechanically strong MgO based sorbents and to develop a Population Balance Equations (PBE) approach to describe the evolution of the particle porosity distribution that is linked with Computational Fluid Dynamics (CFD) to perform simulations of the CO2 capture and sorbent regeneration. A large number of MgO-based regenerable sorbents were prepared using low cost and abundant dolomite as the base material. Among various preparation parameters investigated the potassium/magnesium (K/Mg) ratio was identified as the key variable affecting the reactivity and CO2 capacity of the sorbent. The optimum K/Mg ratio is about 0.15. The sorbent formulation HD52-P2 was identified as the “best” sorbent formulation and a large batch (one kg) of the sorbent was prepared for the detailed study. The results of parametric study indicate the optimum carbonation and regeneration temperatures are 360° and 500°C, respectively. The results also indicate that steam has a beneficial effect on the rate of carbonation and regeneration of the sorbent and that the reactivity and capacity of the sorbent decreases in the cycling process (sorbent deactivation). The results indicate that to achieve a high CO2 removal efficiency, the bed of sorbent should be operated at a temperature range of 370-410°C which also favors production of hydrogen through the WGS reaction. To describe the carbonation reaction kinetics of the MgO, the Variable Diffusivity shrinking core Model (VDM) was developed in this project, which was shown to accurately fit the experimental data. An important advantage of this model is that the changes in the sorbent conversion with time can be expressed in an explicit manner, which will significantly reduce the CFD computation time. A Computational Fluid Dynamic/Population Balance Equations (CFD/PBE) model was developed that accounts for the particle (sorbent) porosity distribution and a new version of the method of moments, called Finite size domain Complete set of trial functions Method Of Moments (FCMOM) was used to solve the population balance equations. The PBE model was implemented in a commercial CFD code, Ansys Fluent 13.0. The code was used to test the model in some simple cases and the results were verified against available analytical solution in the literature. Furthermore, the code was used to simulate CO2 capture in a packed-bed and the results were in excellent agreement with the experimental data obtained in the packed bed. The National Energy Laboratory (NETL) Carbon Capture Unit (C2U) design was used in simulate of the hydrodynamics of the cold flow gas/solid system (Clark et al.58). The results indicate that the pressure drop predicted by the model is in good agreement with the experimental data. Furthermore, the model was shown to be able to predict chugging behavior, which was observed during the experiment. The model was used as a base-case for simulations of reactive flow at elevated pressure and temperatures. The results indicate that by controlling the solid circulation rate, up to 70% CO2 removal can be achieved and that the solid hold up in the riser is one of the main factors controlling the extent of CO2 removal. The CFD/PBE simulation model indicates that by using a simulated syngas with a composition of 20% CO2, 20% H2O, 30% CO, and 30% H2, the composition (wet basis) in the reactor outlet corresponded to about 60% CO2 capture with and exit gas containing 65% H2. A preliminary base-case-design was developed for a regenerative MgO-based pre-combustion carbon capture process for a 500 MW IGCC power plant. To minimize the external energy requirement, an extensive heat integration network was developed in Aspen/HYSYS® to produce the steam required in the regenerator and heat integration. In this process, liquid CO2 produced at 50 atm can easily be pumped and sequestered or stored. The preliminary economic analyses indicate that the estimated cost of carbon v capture is in the range of $31-$44/ton, suggesting that a regenerative MgO-Based process can be a viable option for pre-combustion carbon dioxide capture in advanced gasification based power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1978

Hydrogen turbine power conversion system assessment

A three part technical study was conducted whereby parametric technical and economic feasibility data were developed on several power conversion systems suitable for the generation of central station electric power through the combustion of hydrogen and the use of the resulting heat energy in turbogenerator equipment. The study assessed potential applications of hydrogen-fueled power conversion systems and identified the three most promising candidates: (1) Ericsson Cycle, (2) gas turbine, and (3) direct steam injection system for fossil fuel as well as nuclear powerplants. A technical and economic evaluation was performed on the three systems from which the direct injection system (fossil fuel only) was selected for a preliminary conceptual design of an integrated hydrogen-fired power conversion system.

Wright, D. E.↗