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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 73 records · Page 4

High-Fidelity Simulations of Supercritical CO2 Based Oxy-Combustion with Non-Ideal Equation of State

The supercritical carbon dioxide (sCO2) Allam-Fetvedt cycle employs high-temperature oxy-combustion using sCO2 as the working fluid, leading to a unique and challenging environment for materials. In this cycle, pressurized gaseous fuel is combusted in the presence of a hot oxidant flow containing a mixture of CO2 and oxygen and a hot CO2 diluent recycle stream at approximately 300 bar under lean combustion conditions. We present high-fidelity reacting simulations of this oxy-combustor environment and compare the results when performing simulations with ideal and non-ideal equations of state. By doing so, we identify if the combustor behavior at the regime of interest is sensitive enough to the equation of state to justify the added computational cost incurred with a non-ideal equation of state.

equation of state↗

A Methodology for Simulating Supercritical CO2 Heat Transfer Experiments Using Machine Learning Models

To support the growth of supercritical carbon dioxide (sCO2) power cycles in the energy industry, this study seeks to train a machine learning model to mirror experimental data to predict new heat transfer data. To do this experimental data was amassed, one preliminary set comprised of 16 test results, and an expanded version comprised of 38 test results. With the goal of predicting experimental apparatus temperatures and pressures, several iterations of models were tested investigating the impact of model hyper-parameters, data inclusion, and data pre-processing on model performance. A total of 15 variations cumulatively of Gaussian Process Regressors, Gradient Boosting Regressors, and Multi-Layer Perceptrons were trained and validated on the preliminary set, and the best algorithm of each class was re-trained on the expanded set. These were compared based on test/train R^2 , test/train mean absolute error (MAE), and validation MAE, to identify the successfulness of these models. It was shown temperatures could be predicted within just a few degrees, showing the potential of this approach. Future research has been identified with approaches to improve pressure and temperature predictions going forward.

Grabowski, Owen↗

Measurements of Density and Sound Speed in Mixtures Relevant to Supercritical CO2 Cycles

Abstract The objective of this research is to validate properties of mixtures relevant to supercritical carbon dioxide (sCO2) power cycles. Direct-fired sCO2 cycles are a promising technology for the future power generation systems. The working fluid of sCO2 cycles will be near and above critical point of CO2. One of the challenges is that the simulation of mixtures should consider real gas behavior. Expected operating conditions of Allam cycles reach up to 300 bar and 1000 °C. Characterizing the mixtures at the extreme conditions is an important issue in current researches and industrial applications. Thermophysical properties of mixtures may be beyond the valid range of the widely used database such as NIST REFPROP. Experimental data of mixture properties in the literature are limited which is necessary to develop high-fidelity design tools for sCO2 power cycles. We measured the density and sound speed of several multi-component mixtures. A temperature-controlled high-pressure test cell was used for the density measurements. Sound speed was measured by resonant frequency detection using an external speaker and a piezoelectric pressure sensor. Mixtures studied in this work include carbon dioxide, methane, oxygen, and water vapor. Properties of pure CO2 were measured to show the validity of our technique. Compositions were selected to be close to frozen mixtures at the inlet, mid-progress, and exhaust conditions of a model sCO2 combustor in the previous numerical simulation work. Corresponding reaction progress variables (RPV) were RPV = 0, 0.5, and 1. Temperature and pressure conditions of experiments are 310–450 K and 0–150 bar. In our study, density and sound speed from the NIST REFPROP database agree with experimental measurements within the range of our measurement uncertainties.

Energy & Fuels↗

Kinetics and Mechanisms of ZnO to ZIF-8 Transformations in Supercritical CO2 Revealed by in situ X-ray Diffraction

ZIF-8 was synthesized in supercritical carbon dioxide (scCO2). In situ powder X-ray diffraction, ex situ microscopy and simulations, provides a encompassing view of the formation of ZIF-8 and intermediary ZnO@ZIF-8 composites in this nontraditional solvent. Time-resolved imaging exposed divergent physicochemical reaction pathways from previous studies of the growth of anisotropic ZIF-8 core@shell structures in traditional solvents. Synthetically relevant physio-chemical properties of scCO2 were integrated into classical nucleation theory, relating interfacial forces with 3D nu-cleation outcomes. The kinetics of crystallization were examined and displayed a characteristic signature of time- and temperature-dependent mechanisms over the extent of the reaction. Lastly, we show that subtle factors, such as the extent of reaction and the size/shape of sacrificial templates can tailor ZIF-8 composition and size, eliciting control over hierarchical porosity in a nonconventional green solvent.

Sinnwell, Michael A.↗

A High-Fidelity Modeling Tool to Support the Design of Oxy-Combustors for Direct-Fired Supercritical CO2 Cycles

The challenge in the design of oxy-combustors for direct-fired supercritical CO 2 (sCO 2 ) cycles is in addressing disparate performance metrics and objectives. Key design parameters to consider include, among others, injector design for mixing and flame stability, split of recycled CO 2 diluent between injectors and cooling films, target flame temperatures to control noncondensable products, and strategies to inject the diluent CO 2 for film cooling and thermal control. In order to support novel oxy-combustor designs, a high-fidelity yet numerically efficient modeling framework based on the CRUNCH CFD® flow solver is presented, featuring key physics-based submodels relevant in this regime. For computational efficiency in modeling large kinetic sets, a flamelet/progress variable (FPV) based tabulated-chemistry approach is utilized featuring a three-stream extension to allow for the simulation of the CO 2 film cooling stream in addition to the fuel and oxidizer streams. Finite rate chemistry effects are modeled in terms of multiple progress variables for the primary flame as well as for slower-evolving chemical species such as NO x and SO x contaminants. Real fluid effects are modeled using advanced equations of states. The predictive capabilities of this computationally tractable design support tool are demonstrated on a conceptual injector design for an oxy-combustor operating near 30 MPa. Simulations results provide quantitative feedback on the effectiveness of the film cooling as well as the level of contaminants (CO, NO, and N) in the exhaust due to impurities entering from the injectors. These results indicate that this framework would be a useful tool for refining and optimizing the oxy-combustor designs as well as risk mitigation analyses.

Engineering↗

Supercritical CO2 Cleaning for Planetary Protection and Contamination Control

We have designed and built a prototype Supercritical CO? Cleaning (SCC) system at JPL. The key features of the system are: 1) the parts inside a high-pressure vessel can be rotated at high speeds; 2) the same thermodynamic condition is maintained during First-In First-Out flushing to keep solvent power constant; and 3) the boil-off during decompression is induced in a separate vessel downstream. Our goal is to demonstrate SCC's ability to remove trace amounts of microbial and organic contaminants down to parts per billion levels from spacecraft material surfaces for future astrobiology missions. The initial cleaning test results showed that SCC can achieve cleanliness levels of 0.01 microgram/cm(sup 2) or less for hydrophobic contaminants such as dioctyl phthalate and silicone and it is less effective in the removal and inactivation of the hydrophilic bacterial spores as expected. However, with the use of a polar co-solvent, the efficacy may improve dramatically. The same results were obtained using liquid CO?. This opens up the possibility of using subcritical cleaning conditions, which may prove to be more compatible with certain spacecraft hardware.

Lin, Ying↗

A Methodology for Simulating Supercritical CO2 Heat Transfer Experiments Using Machine Learning Models

In an effort to support the growth of supercritical carbon dioxide (sCO2) power cycles in the energy industry, this study seeks to train a machine learning model to mirror experimental data to inform future efforts and design features for both sCO2 heat exchangers and sCO2 turbine thermal management. There is a need for large amounts of experimental testing as there is less established literature about sCO2 used as a working medium in these cycles, as well as due to the influx of novel heat transfer designs presented by the advent of additive manufacturing.

Grabowski, Owen↗

Design and Optimization of a 3-Stage Axial Supercritical CO2 Compressor

This paper presents the detailed design and optimization of a three-stage axial supercritical carbon dioxide (sCO2) compressor to support the advancement of sCO 2 power cycles, recognized for their efficiency and compactness in energy conversion. The three-stage design is a scaled model of the original nine-stage 100 MW design. The aerodynamic design and structural analysis were performed at the University of Cincinnati, and the results are presented. The first stage of the design has been meticulously manufactured and experimentally tested at University of Notre Dame Turbomachinery Laboratory. The design process starts with the preliminary design process, considering the required operating boundary conditions and geometrical constraints for full stage design. The design is then scaled down to 3-stage based on the power limitation. The definition for design parameters has been inspired from the EEE HPC design and tweaked to fit the sCO 2 operation. Axisymmetric analysis is performed next and the parametric geometry modeler -Tblade3 has been used to create 3D blade geometry from the results which can then be exported for the 3D CFD analysis and optimization. An efficiency of 89.85% is predicted for the final design at the design point.

Compressor↗

Design and Analysis of a 25 MWe Supercritical CO2 Turbo Machine

This paper presents the design and analysis of a turbo machine operating with supercritical carbon dioxide (sCO2) in a 25 MWe Recompression Brayton Cycle (RCBC). The work was performed under US Department of Energy (DoE) program DE-EE-0010318. The design process involves the aerodynamic design of the compressor and turbine, including the initial layout of flowpaths and stage configurations to achieve high efficiency and performance. Additionally, a comprehensive rotodynamic analysis is performed to ensure the stability and reliability of the system. Conceptual designs for a high-speed motor and synchronous generator that match turbomachinery requirements are also developed from first principles.

42 ENGINEERING↗

Impacts on mechanical strength of chemical reactions induced by hydrous supercritical CO2 in Boise Sandstone

Geomechanics experiments were used to assess mechanical alteration of Boise Sandstone promoted by reactions with supercritical carbon dioxide (scCO 2 ) and water vapor. During geologic carbon storage, scCO 2 is injected into subsurface reservoirs, forming buoyant plumes. At brine-plume interfaces, scCO 2 can dissolve into native brines, and water from brines can partition into scCO 2 , forming hydrous scCO 2 . This study investigates the effect of hydrous scCO 2 on the strength of Boise Sandstone. Samples are first exposed to recirculating hydrous scCO 2 for 24 h at 70 °C and 13.8 MPa scCO 2 pressure. Samples are reacted with scCO 2 with added water contents up to 500 mL. After scCO 2 exposure, samples are deformed at room temperature under confining pressures of 3.4, 6.9, and 10.3 MPa. The results demonstrate that hydrous scCO 2 induces chemical reactions in Boise Sandstone, with ions migrating from the solid into the hydrous scCO 2 phase. At the longer time-scales, these reactions could lead to mechanical weakening in the samples; however, on the scale of our experiments, the strength changes are within sample variability. Because the solubility of water in scCO 2 is extremely low (0.008 mol H 2 O per 1 mol CO 2 ), the mineral dissolution of Boise Sandstone was under 0.002 wt.%. Additionally, mineral grains and pore throats in Boise Sandstone are cemented with quartz, which is not susceptible to dissolution at these conditions. Our results indicate that humidity in scCO 2 plumes is unlikely to sustain chemical reactions and induce long term strength changes in quartz cemented sandstones due to resistant mineralogies and low water solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic Model of a supercritical CO2 10MW Recompression Closed Brayton Cycle

This model of the 10MW recompression closed Brayton cycle (RCBC) was developed in conjunction with the DOE’s Supercritical Transformational Electric Power (STEP) project. A high-fidelity dynamic model was used extensively to study the dynamic characteristics of the cycle and develop the process control architecture and strategies for start-up and shutdown procedures. This version of the model has been simplified from the original version to be more accessible for a variety of applications and research. The controllers developed for the original model have been maintained for this version and tuned to give a similar performance to the original model. This model can be used to perform similar studies as those performed in Liese et al (2020). The overall cycle performance will not be identical but will perform similarly.

Controls,Power Cycles,Process Systems Engineering,↗

DESIGN AND TESTING OF A 275 BAR 700 DEGREE CELSIUS EXPANDER FOR AN INTEGRALLY GEARED SUPERCRITICAL CO2 COMPANDER

An integrally-geared (IG) compressor-expander (compander) for use in a nominal 10 MW-scale concentrated solar power (CSP) supercritical carbon dioxide (sCO2) plant application was designed, manufactured, and tested. The integrally-geared compander (IGC) developed for this application comprises multiple pinion shafts interacting through a single bull gear to create a compact package and utilize a lowcost, low-speed driver. The present work will detail the design of the high-pressure high-temperature expander casing on an integrally geared frame, and illustrate how the project successfully mitigated the risk of fatigue and creep while allowing for rapid thermal transients in the design. Furthermore, test data from the test campaign will be presented supporting the analysis. Test results also show temperature profiles during operation exceeding 720° Celsius.

wilkes, jason↗

Analysis of Compressibility Effects and Nonlinear Property Variations in a Supercritical CO2 Mixing Layer

Calculations are performed using the large eddy simulation technique to qualitatively assess the effects of fluid compressibility and thermodynamic nonlinearities on the dynamics of a supercritical flow field. Resulting data are also used to interrogate instantaneous subfilter-scale fields, as modeled by the mixed-dynamic Smagorinsky closure and gradient diffusion model. A three-dimensional wall-resolved calculation of a spatially evolving mixing layer composed solely of carbon dioxide is performed. This is followed by a coarse grid calculation to examine model performance as a function of resolution. Theoretical analysis indicates that the partial derivatives of density with respect to pressure and temperature are important modulators of the temperature and pressure field evolution, respectively. Results pertaining to subfilter velocity-velocity and velocity-temperature fields indicate that the models are most stressed in the regions where compressibility and thermo-fluid nonlinearities dominate the physics.

42 ENGINEERING↗

Review of HAYNES® 282® alloy for supercritical CO2 structural applications

In this paper, HAYNES® 282® alloy (282® alloy) properties, microstructure, high temperature oxidation resistance, weldability, and American Society of Mechanical Engineers (ASME) code case highlights are reviewed. The long term performance of high temperature, high strength, creep resistant alloys is critical to the success of supercritical carbon dioxide equipment. Several modern power generation technologies require alloys that can operate continuously at or above 700oC. 282® alloy is a precipitation strengthened nickel based super alloy that meets these requirements. The results of 282® alloy research reviewed in this paper include longterm cyclic oxidation behavior in air and sCO2, independent research and validation of 100k hour creep life, and successful welding of the alloy in the age hardened condition. The latter is critical for joining of hardened components (flanges, piping, heat exchanger internal, etc.) and field repair. Several highlights from the code case for this ASMEapproved material are also presented.

Tossey, Brett↗

Pumped Thermal Electricity Storage with Supercritical CO2 Cycles and Solar Heat Input

Pumped Thermal Electricity Storage (PTES) is an energy storage device that uses grid electricity to drive a heat pump that generates hot and cold storage reservoirs. This thermal potential is later used to power a heat engine and return electricity to the grid. In this article, a PTES variant that uses supercritical carbon dioxide (sCO2) as the working fluid is introduced. sCO2-PTES cycles have higher work ratios and power densities than the systems based on ideal gases that have been investigated to date. Furthermore, sCO2- PTES cycles may achieve higher round-trip efficiencies for a given hot storage temperature (up to 78% at 560°C). The sensitivity of PTES cycles to loss factors such as isentropic efficiencies and temperature differences between the power cycle and storage fluid is investigated. A second concept whereby an sCO2- PTES cycle is integrated with concentrating solar power (CSP) is introduced. This concept ‘time-shifts’ the recompression of an sCO2 recompression cycle to a period of lower electricity prices and stores the heat. When solar heat is dispatched, the recompressor may be avoided as the required heat is obtained from storage, thereby leading to increased heat engine efficiencies. The net work output of this integrated system is 10-18% greater than the conventional recompression cycle. Combining PTES with a CSP power cycle is therefore shown to improve the dispatch of solar heat as well as providing electricity storage services.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Extension of Argonne’s Plant Dynamics Code (PDC) Capabilities to TerraPower Direct-Cycle Supercritical CO2 (“Pascal”) Nuclear Reactor Concept. Final CRADA report

Argonne National Laboratory (the Contractor) and TerraPower, LLC, (the Participant), entered into a Cooperative Research and Development Agreement (CRADA) to extend the Plant Dynamics Code (PDC) to model the Pascal reactor plant. PDC is the system-level computer code developed at Argonne, primarily for design and transient analysis of supercritical carbon dioxide (sCO2) energy conversion systems for various power plants. Pascal is a supercritical carbon dioxide (sCO2)-cooled direct-cycle nuclear power reactor under development by TerraPower. New features were added to the code to model components and systems specific to the Pascal plant and to make the code readily available as a tool for design, control, and safety analysis for this and other direct-cycle power plants. TerraPower provided design information of the Pascal reactor and the requirements for the development of the new PDC features. Argonne modified the PDC capabilities to introduce the new features.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Supercritical CO2 Heat Pumps and Power Cycles for Concentrating Solar Power

Pumped Thermal Energy Storage (PTES) is a promising technology for electricity storage applications. An electrically driven heat pump moves energy from a cold space to a hot space, thereby creating hot and cold thermal storage. The temperature difference between the hot and cold storage is later used to drive a heat engine and return electricity to the grid. In this article, supercritical carbon dioxide (sCO2) is chosen as the working fluid for PTES, and results are compared to 'conventional' systems that use nitrogen. Molten salts are used for the hot storage which means that a CSP plant with thermal storage and an sCO2 power cycle could potentially be hybridized with PTES by the addition of a heat pump. This article describes some of the benefits of this combined system which can provide renewable power generation and energy management services. Two methods by which an sCO2 heat pump can be combined with an sCO2 power cycle for CSP are described and techno-economic results are presented. Results indicate that these systems can achieve reasonable technical performance, but that costs are currently high.

carnot battery↗

Supercritical CO2 Heat Pumps and Power Cycles for Concentrating Solar Power: Preprint

Pumped Thermal Energy Storage (PTES) is a promising technology for electricity storage applications. Grid electricity drives a heat pump which moves energy from a cold space to a hot space, thereby creating hot and cold thermal storage. The temperature difference between the storage is later used to drive a heat engine and return electricity to the grid. In this article, supercritical carbon dioxide (sCO2) is chosen as the working fluid for PTES, and results are compared to ‘conventional’ systems that use an ideal gas. Molten salts are used for the hot storage which means that a CSP plant with thermal storage and an sCO2 power cycle could potentially be hybridized with PTES by the addition of a heat pump. This article describes some of the benefits of this combined system which can provide renewable power generation and energy management services. Two methods by which an sCO2 heat pump can be combined with an sCO2 power cycle for CSP are described and techno-economic results are presented. Results indicate that these systems can achieve reasonable technical performance, but that costs are currently high.

41 EE - Solar Energy Technologies Office (EE-4S)↗