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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Uncertainty Analysis for the Miniaturized Laser Heterodyne Radiometer (mini-LHR)

Presented here is a sensitivity analysis for the miniaturized laser heterodyne radiometer (mini-LHR). This passive, ground-based instrument measures carbon dioxide (CO2) in the atmospheric column and has been under development at NASA/GSFC since 2009. The goal of this development is to produce a low-cost, easily-deployable instrument that can extend current ground measurement networks in order to (1) validate column satellite observations, (2) provide coverage in regions of limited satellite observations, (3) target regions of interest such as thawing permafrost, and (4) support the continuity of a long-term climate record. In this paper an uncertainty analysis of the instrument performance is presented and compared with results from three sets of field measurements. The signal-to-noise ratio (SNR) and corresponding uncertainty for a single scan are calculated to be 329.4+/-1.3 by deploying error propagation through the equation governing the SNR. Reported is an absorbance noise of 0.0024 for 6 averaged scans of field data, for an instrument precision of approximately 0.2 ppmv for CO2.

carbon dioxide (CO2)↗
NASA NTRS1997

Analysis of myosin heavy chain mRNA expression by RT-PCR

An assay was developed for rapid and sensitive analysis of myosin heavy chain (MHC) mRNA expression in rodent skeletal muscle. Only 2 microg of total RNA were necessary for the simultaneous analysis of relative mRNA expression of six different MHC genes. We designed synthetic DNA fragments as internal standards, which contained the relevant primer sequences for the adult MHC mRNAs type I, IIa, IIx, IIb as well as the embryonic and neonatal MHC mRNAs. A known amount of the synthetic fragment was added to each polymerase chain reaction (PCR) and yielded a product of different size than the amplified MHC mRNA fragment. The ratio of amplified MHC fragment to synthetic fragment allowed us to calculate percentages of the gene expression of the different MHC genes in a given muscle sample. Comparison with the traditional Northern blot analysis demonstrated that our reverse transcriptase-PCR-based assay was reliable, fast, and quantitative over a wide range of relative MHC mRNA expression in a spectrum of adult and neonatal rat skeletal muscles. Furthermore, the high sensitivity of the assay made it very useful when only small quantities of tissue were available. Statistical analysis of the signals for each MHC isoform across the analyzed samples showed a highly significant correlation between the PCR and the Northern signals as Pearson correlation coefficients ranged between 0.77 and 0.96 (P < 0.005). This assay has potential use in analyzing small muscle samples such as biopsies and samples from pre- and/or neonatal stages of development.

Non-NASA Center↗
DOE OSTI2020

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

High-Octane Gasoline from Lignocellulosic Biomass via Syngas and Methanol/Dimethyl Ether Intermediates: 2019 State of Technology

The report focuses on 2019 state of technology (SOT) updates to a 2018 SOT report, which presented research and techno-economic analysis updates of the detailed 2015 design report, along with sensitivity analysis showing the effect of key assumptions and parameters. Relevant developments in 2019 are presented here without repeating the bulk of the material included in the previous reports. The conversion pathway presented in this report includes the gasification of biomass, steam reforming and cleanup of the syngas, followed by the conversion of the syngas to high-octane gasoline (HOG) via methanol and dimethyl-ether (DME) intermediates. Key achievements in 2019 for the DME-to-HOG conversion step include increased DME conversion, while maintaining selectivity towards desirable C5+ hydrocarbon products, reduced aromatics formation, and an increased conversion of co-fed C4 to C5+ (in experiments conducted to simulate the recycle of C4 products).

09 BIOMASS FUELS↗
DOE OSTI2025

Hypercomplex Automatic Differentiation in the Eulerian Hydrocode PAGOSA

Enabling the computation of partial derivatives or sensitivities in production hydrocodes is beneficial for design, optimization, sensitivity analysis, and uncertainty quantification. Traditional finite difference approximations of these sensitivities are inefficient since convergence studies of the step size is required for each parameter of interest. For these reasons, HYPercomplex Automatic Differentiation (HYPAD) was implemented in the Eulerian hydrocode PAGOSA. HYPAD is analogous to forward-mode automatic differentiation except hypercomplex numbers (numbers with multiple imaginary parts) are used instead of dual numbers. Accurate partial derivatives can be computed of all state variables with respect to multiple input variables in a single run. The method was implemented using operator overloading to handle hypercomplex algebra. HYPAD was demonstrated and verified on Sod’s shock tube problem to compute derivatives of the state variables with respect to a material parameter, initial conditions, and geometry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Sensitivity-Informed Bayesian Inference for Home PLC Network Models with Unknown Parameters

Bayesian inference is used to calibrate a bottom-up home PLC network model with unknown loads and wires at frequencies up to 30 MHz. A network topology with over 50 parameters is calibrated using global sensitivity analysis and transitional Markov Chain Monte Carlo (TMCMC). The sensitivity-informed Bayesian inference computes Sobol indices for each network parameter and applies TMCMC to calibrate the most sensitive parameters for a given network topology. A greedy random search with TMCMC is used to refine the discrete random variables of the network. This results in a model that can accurately compute the transfer function despite noisy training data and a high dimensional parameter space. The model is able to infer some parameters of the network used to produce the training data, and accurately computes the transfer function under extrapolative scenarios.

42 ENGINEERING↗
DOE OSTI2022

Thermal modeling of three lakes within the continuous permafrost zone in Alaska using the LAKE 2.0 model

Abstract. Lakes in the Arctic are important reservoirs of heat with much lower albedo in summer and greater absorption of solar radiation than surrounding tundra vegetation. In the winter, lakes that do not freeze to their bed have a mean annual bed temperature >0 ∘C in an otherwise frozen landscape. Under climate warming scenarios, we expect Arctic lakes to accelerate thawing of underlying permafrost due to warming water temperatures in the summer and winter. Previous studies of Arctic lakes have focused on ice cover and thickness, the ice decay process, catchment hydrology, lake water balance, and eddy covariance measurements, but little work has been done in the Arctic to model lake heat balance. We applied the LAKE 2.0 model to simulate water temperatures in three Arctic lakes in northern Alaska over several years and tested the sensitivity of the model to several perturbations of input meteorological variables (precipitation, shortwave radiation, and air temperature) and several model parameters (water vertical resolution, sediment vertical resolution, depth of soil column, and temporal resolution). The LAKE 2.0 model is a one-dimensional model that explicitly solves vertical profiles of water state variables on a grid. We used a combination of meteorological data from local and remote weather stations, as well as data derived from remote sensing, to drive the model. We validated modeled water temperatures with data of observed lake water temperatures at several depths over several years for each lake. Our validation of the LAKE 2.0 model is a necessary step toward modeling changes in Arctic lake ice regimes, lake heat balance, and thermal interactions with permafrost. The sensitivity analysis shows us that lake water temperature is not highly sensitive to small changes in air temperature or precipitation, while changes in shortwave radiation and large changes in precipitation produced larger effects. Snow depth and lake ice strongly affect water temperatures during the frozen season, which dominates the annual thermal regime of Arctic lakes. These findings suggest that reductions in lake ice thickness and duration could lead to more heat storage by lakes and enhanced permafrost degradation.

Clark, Jason A. (ORCID:0000000248105261)↗
NASA NTRS1991

Thermal analysis of conceptual designs for GPHS/FPSE power systems of 250 We and 500 We

Thermal analyses were performed for two distinct configurations of a proposed space nuclear power system which combines General Purpose Heat Source (GPHS) modules with the state of the art Free-Piston Stirling Engines (FPSEs). The two configurations correspond to systems with power levels of 250 and 500 W(sub e). The 250 W(sub e) GPHS/FPSE power system utilizes four GPHS modules and one FPSE, and the 500 W(sub e) contains eight GPHS modules and two FPSEs. The configurations of the systems and the bases for selecting the configurations are described. Brief introductory sections are included to describe the GPHS modules and free piston Stirling engines. The primary focus of the thermal analyses is on the temperature of the iridium fuel clad within the GPHS modules. A design goal temperature of 1573 K was selected as the upper limit for the fuel clad during normal operating conditions. The basis for selecting this temperature limit is discussed in detail. Results obtained from thermal analysis of the 250 W(sub e) GPHS/FPSE power system indicate fuel clad temperatures which slightly exceed the design goal temperature of 1573 K. The results are considered favorable due to the numerous conservative assumptions used in developing the thermal model and performing the thermal analysis. To demonstrate the effects of the conservatism, a brief sensitivity analysis is performed in which a few of the key system parameters are varied to determine their effect on the fuel clad temperatures. It is concluded that thermal analysis of a more detailed thermal model would be expected to yield fuel clad temperatures below the design foal temperature limiy 1573 K.

Mccomas, Thomas J.↗
NASA NTRS2001

Reliability Analysis for AFTI-F16 SRFCS Using ASSIST and SURE

This paper reports the results of a study on reliability analysis of an AFTI-16 Self-Repairing Flight Control System (SRFCS) using software tools SURE (Semi-Markov Unreliability Range Evaluator and ASSIST (Abstract Semi-Markov Specification Interface to the SURE Tool). The purpose of the study is to investigate the potential utility of the software tools in the ongoing effort of the NASA Aviation Safety Program, where the class of systems must be extended beyond the originally intended serving class of electronic digital processors. The study concludes that SURE and ASSIST are applicable to reliability, analysis of flight control systems. They are especially efficient for sensitivity analysis that quantifies the dependence of system reliability on model parameters. The study also confirms an earlier finding on the dominant role of a parameter called a failure coverage. The paper will remark on issues related to the improvement of coverage and the optimization of redundancy level.

Wu, N. Eva↗
DOE OSTI2016

Adjoint-Based Sensitivity and Uncertainty Analysis for Density and Composition: A User's Guide

The ability to perform sensitivity analyses using adjoint-based sensitivity theory has existed for decades . This paper provides guidance on how adjoint sensitivity methods can be used to predict the effect of material density and composition uncertainties in critical experiments, including when these uncertain parameters are correlated or constrained. Two widely used Monte Carlo codes, MCNP6 and SCALE, are both capable of computing isotopic sensitivities in continuous energy and angle. Additionally, Perko et al. have shown how individual isotope sensitivities, easily computed using adjoint methods, can be combined to compute constrained sensitivities that may be used in the uncertainty analysis. This paper provides details on how the codes are used to compute sensitivities and how the sensitivities are used in an uncertainty analysis. Constrained sensitivities are computed in a simple example problem. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Assessing the sensitivity of land-atmosphere coupling strength to boundary and surface layer parameters in the WRF model over Amazon

Modeling tools can be used to diagnose regional land-atmosphere (L-A) coupling strength in the absence of sufficient observations, but subject to uncertainties associated with parameters in model physical parameterizations. Different sensitivity analysis (SA) approaches may lead to different conclusions about the underlying sensitivities. In this study, we quantify simulation uncertainties related to parameter perturbations, and use different approaches to conduct parameter SA on the WRF model pertaining to L-A coupling strength for simulations over the Amazon region. A total of twenty parameters from the Yonsei University (YSU) planetary boundary layer (PBL) and the revised MM5 surface layer (SL) schemes were selected in this analysis. Three different SA methods, the Morris One-at-A-Time (MOAT) method, the Multivariate Adaptive Regression Splines (MARS) method, and the Sobol’ method, were employed to analyze seven WRF-simulated variables and five L-A coupling metrics. Results show that 1) parameter perturbations cause large simulation uncertainties which are comparable to those in the observations; 2) three different SA methods give consistent L-A coupling strength outcomes; 3) six out of the twenty parameters contribute 80%–95% of the total variance in the metrics analyzed, and first-order effects dominate over interaction effects; 4) the twelve variables/metrics of interest show similar sensitivity patterns to the selected parameters, which is consistent across all the methods used. Physical mechanisms for how the sensitive parameters act in determining the L-A coupling strength and associated variables also are illustrated. Our results will help quantifying L-A coupling strength and establishing a basis for parameter calibration over the Amazon region.

Wang, Chen↗
DOE OSTI2023

Discerning Deception: An Empirically-Driven Agent-Based Model of Expert Evaluation of Scientific Content

Both human subject experiments and computational, modeling and simulations have been used to study detection of deception. This work aims to combine these two methods by integrating empirically-derived information (from human subject experiments) into agent-based models to generate novel insights into the complex problems of detection of disinformation content. Computational experiments are used to simulate across multiple scenarios for evaluation and decision-making regarding the validity of potentially deceptive scientific documents. Factors influencing the human agent behaviors in the model were identified through a human subject experiment that was conducted to evaluate and characterize decision making related to disinformation discernment. Correlation and regression analyses were used to translate insights from the human subjects experiment to inform the parameterization of agent features and scenario development. Three scenarios were evaluated with the agent-based models to help evaluate the replicability of the simulations (validation analysis) and assess the influence of human agent and document features (sensitivity analyses). A replication of the human participant experiment demonstrated that the agent-based simulations compare favorably to empirical findings. The agent-based modeling was then used to conduct sensitivity analysis on the accuracy of deception detection as a function of document proportions and human agent features. Results indicate that precision values are adversely impacted when the proportion of deceptive documents is lower in the overall sample, whereas recall values are more sensitive to changes in human agent features. These findings indicate important nuances in accuracy evaluations that should be further considered (including consideration of potential alternate metrics) in future agent-based models of disinformation. Additional areas for future exploration include extension of simulations to consider other ways to align the agent-based model design with psychological theory and inclusion of agent-agent interactions, especially as it pertains to sharing of scientific information within an organizational context.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1986

Senstitivty analysis and optimization of nodal point placement for vibration reduction

A method is developed for sensitivity analysis and optimization of nodal point locations in connection with vibration reduction. A straightforward derivation of the expression for the derivative of nodal locations is given, and the role of the derivative in assessing design trends is demonstrated. An optimization process is developed which uses added lumped masses on the structure as design variables to move the node to a preselected location - for example, where low response amplitude is required or to a point which makes the mode shape nearly orthogonal to the force distribution, thereby minimizing the generalized force. The optimization formulation leads to values for added masses that adjust a nodal location while minimizing the total amount of added mass required to do so. As an example, the node of the second mode of a cantilever box beam is relocated to coincide with the centroid of a prescribed force distribution, thereby reducing the generalized force substantially without adding excessive mass. A comparison with an optimization formulation that directly minimizes the generalized force indicates that nodal placement gives essentially a minimum generalized force when the node is appropriately placed.

Pritchard, J. I.↗
DOE OSTI2017

Sensitivity and Uncertainty Analysis of Plutonium and Cesium Isotopes in Modeling of BR3 Reactor Spent Fuel

Nuclear forensics has a broad task to characterize recovered nuclear or radiological material and interpret the results of investigation. One approach to isotopic characterization of nuclear material obtained from a reactor is to chemically separate and perform isotopic measurements on the sample and verify the results with modeling of the sample history, for example, operation of a nuclear reactor. The major actinide plutonium and fission product cesium are commonly measured signatures of the fuel history in a reactor core. This study investigates the uncertainty of the plutonium and cesium isotope ratios of a fuel rod discharged from a research pressurized water reactor when the location of the sample is not known a priori. A sensitivity analysis showed overpredicted values for the 240 Pu/ 239 Pu ratio toward the axial center of the rod and revealed a lower probability of the rod of interest (ROI) being on the periphery of the assembly. The uncertainty analysis found the relative errors due to only the rod position and boron concentration to be 17% to 36% and 7% to 15% for the 240 Pu/ 239 Pu and 137 Cs/ 135 Cs ratios, respectively. Lastly, this study provides a method for uncertainty quantification of isotope concentrations due to the location of the ROI. Similar analyses can be performed to verify future chemical and isotopic analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Adding stable carbon isotopes improves model representation of the role of microbial communities in peatland methane cycling

Abstract Climate change is expected to have significant and uncertain impacts on methane (CH 4 ) emissions from northern peatlands. Biogeochemical models can extrapolate site‐specificCH 4 measurements to larger scales and predict responses of CH 4 emissions to environmental changes. However, these models include considerable uncertainties and limitations in representing CH 4 production, consumption, and transport processes. To improve predictions of CH 4 transformations, we incorporated acetate and stable carbon (C) isotopic dynamics associated with CH 4 cycling into a biogeochemistry model, DNDC. By including these new features, DNDC explicitly simulates acetate dynamics and the relative contribution of acetotrophic and hydrogenotrophic methanogenesis (AM and HM) to CH 4 production, and predicts the C isotopic signature (δ 13 C) in soil C pools and emitted gases. When tested against biogeochemical and microbial community observations at two sites in a zone of thawing permafrost in a subarctic peatland in Sweden, the new formulation substantially improved agreement with CH 4 production pathways and δ 13 C in emitted CH 4 (δ 13 C‐CH 4 ), a measure of the integrated effects of microbial production and consumption, and of physical transport. We also investigated the sensitivity of simulated δ 13 C‐CH 4 to C isotopic composition of substrates and, to fractionation factors for CH 4 production (α AM and α HM ), CH 4 oxidation (α MO ), and plant‐mediated CH 4 transport (α TP ). The sensitivity analysis indicated that the δ 13 C‐CH 4 is highly sensitive to the factors associated with microbial metabolism (α AM , α HM , and α MO ). The model framework simulating stable C isotopic dynamics provides a robust basis for better constraining and testing microbial mechanisms in predicting CH 4 cycling in peatlands.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Simulation process and data flow for a large system dynamics model

This paper documents the workflow and supporting technologies that a large system dynamics model, the biomass scenario model, employs to streamline the data preparation, simulation, quality control, and analysis process at the National Renewable Energy Laboratory. The workflow centers on automation of routine aspects of the flow of data between data stores, simulations, and visualizations. It enforces quality checks on data, reproducibility of computations, and traceability of results, while maintaining complete archives of modeling and analysis artifacts. The resulting frictionless simulation/analysis environment supports large-scale sensitivity analysis, interactive creation of ensembles of simulations, and rapid visualization-based exploration of simulation results.

09 BIOMASS FUELS↗
DOE OSTI2023

Development of an All-Aqueous Thermally Regenerative Redox Flow Battery to Support Fossil Fuel Assets

Low-temperature thermal energy, a largely untapped resource, holds significant promise for large-scale electrical power generation globally. Various stationary sources, including industrial entities and thermal power plants, emit considerable low-temperature heat that currently remains unutilized. This energy is often overlooked because its low temperature renders it unsuitable for efficient power generation using conventional methods. However, current research is exploring diverse technologies capable of converting low-temperature heat into grid-scale power, aiming to enhance grid efficiency, further decarbonization initiatives, and facilitate a shift toward more decentralized power systems. One such innovative technology is the thermally regenerative battery (TRB), noted for its high power and energy densities compared to similar technologies, positioning it as a potential game-changer in power generation. TRBs integrate two scalable and well-established unit operations: a redox flow battery and a distillation column. This integration suggests that once an effective TRB chemistry is established, the pathway to commercialization could be expedited. The copper-based thermally regenerative ammonia battery (Cu aq -TRAB) stands out as the first TRB that circumvents electrodeposition/dissolution reactions, stabilizing Cu(I) and Cu(II) within the electrolyte and maintaining stability of all electroactive species in an aqueous phase. This stabilization has led to improvements in coulombic efficiency, open circuit potential, and copper solubility, thereby enhancing power density, energy density, and overall energy efficiency. Preliminary tests were conducted to determine the effects of various electrolyte species on the performance metrics of the battery, both theoretically and experimentally. These tests revealed that the solubility of copper in the Cu aq -TRAB electrolyte was constrained by the Cu(I)-NH 3 complex. Adjusting the background electrolyte to 5 M NH4Br and the ligand concentration to 4 M NH 3 enabled the copper concentration to reach a maximum of 0.6 M. This modification led to an estimated theoretical maximum energy density of 9.5 Wh L -1 for the Cu aq -TRAB. Additionally, full cell testing indicated a tradeoff between peak power and energy density with varying copper and ammonia concentrations. Increasing the applied current density during discharge linearly raised the average power output, with a minimal reduction in energy density due to a balance between higher ohmic overpotential and reduced time for undesirable ammonia crossover. Furthermore, a comprehensive numerical sensitivity analysis of the complete Cu aq -TRAB system was performed. This analysis aimed to assess how the battery and the distillation column responded to changes in system input parameters, providing insights into optimal research directions for enhancing system performance. The analysis revealed that at room temperature, battery power was significantly more sensitive to ohmic losses than to mass transfer, with reaction rates having minimal impact. This trend continued even at higher temperatures. Also, the thermal energy required for ammonia separation was studied, showing that increased temperatures generally reduced energy requirements, except in low-pressure scenarios above 65 °C. An investigation into membrane performance in the Cu aq -TRAB was undertaken, given the significant impact of ammonia transport control and ohmic losses on system performance. Various membranes were evaluated to identify key performance metrics. Among the tested membranes, Selemion CMVN exhibited the highest performance, with a peak power density of 84 mW cm -2 and average values of 26 ± 6.8 mW cm -2 for power density and 2.9 Wh L -1 for energy density at an applied current density of 50 mA cm -2 . An economic assessment indicated a levelized cost of storage at $410 per MWh under optimal conditions, highlighting the commercial potential of the Cu aq -TRAB when utilizing cost-effective, readily available materials.

25 ENERGY STORAGE↗
DOE OSTI2023

DME-Propane Ignition Delay Time Measurements at Mixing Controlled Compression Ignition Engine-Relevant Conditions

The blend of dimethyl ether (DME, CH 3 OCH 3 ) and propane (C 3 H 8 ) is a potentially renewable fuel mixture that has the potential to replace diesel in compression ignition engines. The combination can potentially reduce particulate and greenhouse gas emissions compared to a conventional diesel engine operating under similar conditions. However, detailed conceptual and simulation studies must be conducted before adopting a new fuel on a compression ignition engine. For these simulations, accurate chemical kinetic models are necessary. However, the validity of chemical kinetic mechanisms in the literature is unknown for mixing controlled compression ignition (MCCI) engine operating conditions. Hence, in this work, we studied the ignition of dimethyl ether (DME) and propane blends in a shock tube at MCCI engine conditions. Ignition delay time (IDT) data was collected behind the reflected shock for DME-propane mixtures for heavy-duty compression ignition (CI) engine parameters. Undiluted experiments spanning temperatures of 700 to 1100 K and pressures of 55 to 84 bar for various blends (100% CH 3 OCH 3 / 0% C 3 H 8, 100% C 3 H 8 / 0% CH 3 OCH 3 , 60% CH 3 OCH 3 / 40% C 3 H 8 ) of DME and propane were combusted in synthetic air (21% O 2 / 79% N 2 ). Some experiments were conducted at higher pressures (90-120 bar) to understand model performance at these conditions. Comparisons of IDT were made with the predictions of recent chemical kinetic mechanisms for DME-propane mixture, including the Aramco3.0, NUIG, and Dames et al. mechanisms. All mechanisms overpredicted IDT compared to experimental values. Sensitivity analysis was conducted with Dames et al. model, and critical reactions sensitive to IDT of DME-propane mixture near 100 bar are outlined.

Mohammed, Zuhayr Pasha↗