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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Autoignition response of n -butanol and its blend with primary reference fuel constituents of gasoline.

We study the influence of blending n-butanol on the ignition delay times of n -heptane and iso-octane, the primary reference fuels for gasoline. The ignition delay times are measured using a rapid compression machine, with an emphasis on the low-to-intermediate temperature conditions. The experiments are conducted at equivalence ratios of 0.4 and 1.0, for a compressed pressure of 20 bar, with the temperatures at the end of compression ranging from 613 K to 979 K. The effect of n -butanol addition on the development of the two-stage ignition characteristics for the two primary reference fuels is also examined. The experimental results are compared to predictions obtained using a detailed chemical kinetic mechanism, which has been obtained by a systematic merger of previously reported base models for the combustion of the individual fuel constituents. In conclusion, a sensitivity analysis on the base, and the merged models, is also performed to understand the dependence of autoignition delay times on the model parameters.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

This article uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basic structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. Finally, the role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

Combustion plasma electrical conductivity model development for oxy-fuel MHD applications

Oxy-combustion can enable efficient CO2 capture from fossil fuel power plants in combined cycle systems; however, air separation is expensive. In order to directly utilize the high gas temperatures associated with oxy-combustion and offset any oxygen separation penalties, a magnetohydrodynamic (MHD) generator has been proposed as a plant topping cycle. Accurately predicting the electrical conductivity of combustion products with the addition of potassium “seed” compound is necessary to evaluate the performance of this modern approach to MHD. In order to make these predictions, improved species collisional cross-section data (momentum transfer cross-section, MTCS) are needed at relevant conditions. A gas electrical conductivity model for use in open-cycle MHD power generation applications is presented, which makes use of updated MTCS data not represented in previous legacy publications. Based on the results of a detailed review and analysis of currently available MTCS data relevant to open-cycle MHD combustion systems, recommendations have been provided for relevant species and a gas temperature range of 1500-3500 K (~0.13-0.3 eV electron energy). Model predictions utilizing updated MTCS data are validated against limited experimental data found in literature for oxy-combustion with potassium seed compound. Model results are presented from a parametric study, which show the effect of combustion conditions and seeding on ionization processes and gas electrical conductivity, highlighting differences between modern oxy-combustion MHD systems and legacy approaches implementing air-fired combustion and high levels of preheat.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2018

Testing the validity of a mechanism describing the oxidation of binary n-heptane/toluene mixtures at engine operating conditions

The purpose of this work is to evaluate the influence of the n-heptane/toluene ratio on the reactivity of binary toluene reference fuels (TRFs), through a combined experimental and numerical work. Novel experimental ignition delay time (IDT) data of three binary TRFs of varying n-heptane/toluene ratios have been obtained in a high-pressure shock tube and in a rapid compression machine at conditions relevant to novel engine operation. Measurements have been performed at two pressures (10 and 30 bar), and at three fuel/air equivalence ratios (0.5, 1.0 and 2.0) for TRF mixtures of 50%, 75% and 90% by volume toluene concentration, over the temperature range of 650–1450 K. It was found that, increasing the n-heptane content, led to an increase in reactivity and shorter measured IDTs. Reduced sensitivity to the equivalence ratio was observed at high temperatures, especially for high toluene content mixtures. A well validated detailed kinetic mechanism for TRF oxidation was utilized to provide further insight into the experimental evidence. The mechanism, which has recently been updated, was also assessed in terms of its validity, contributing thus to its continuous development. Reaction path analysis was performed to delineate critical aspects of toluene oxidation under the considered conditions. Moreoever, sensitivity analysis highlighted the interactions between the chemistry of the two TRF components, revealing toluene's character as a reactivity inhibitor mainly through the consumption of ÓH radicals.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Two-stage ignition behavior and octane sensitivity of toluene reference fuels as gasoline surrogate

Current approaches to improve the efficiency of Spark-Ignition (SI) gasoline engines have been focusing on turbocharging, increasing the compression ratio, and pursuing advanced low-temperature combustion concepts. In order to maximize these strategies, it is important to optimize the knock resistance of the fuel, and therefore knowledge of the sensitivity of the ignition process under a wide range of engine operating conditions is required. Octane sensitivity (OS), which is defined as the difference between Research Octane Number (RON) and Motored Octane Number (MON), has been introduced to represent how fuel's ignition reactivity changes relative to the primary reference fuels (n-heptane/iso-octane) within RON/MON conditions. Previous works have indicated that OS is intimately related to low temperature reactivity of the fuel, which can be revealed as two-stage heat release characteristics during an ignition event. Prompted by these findings, in this paper, we investigate the relationship between two-stage ignition behavior and OS, using chemical kinetic simulations of 24 Toluene Reference Fuels (TRFs)/ethanol blends. TRFs are ternary mixtures of n-heptane/iso-octane/toluene, which is capable of capturing aromatic content and positive values of OS of real gasoline fuels. Simulation results show that fuels with weak or no two-stage ignition behavior tend to have high OS, due to their lack of Negative Temperature Coefficient (NTC) effect and high sensitivity in ignition delay time. Leveraging such observations, we develop a correlation between two-stage behavior and OS as an OS prediction method. Two metrics that represent the strength of the two-stage ignition behavior are proposed and used as OS predictors, which are Low Temperature Heat Release percentage (LTHR%) and Heat Release Rate at the end of first stage (HRR inf ) calculated from a simple kinetic simulation. Regression analysis shows a clear trend between decreases in the proposed two-stage behavior metrics and increases in the value of OS of the fuel. We also test the new metric (LTHR%) using simulation results of 0-D reactors with imposed pressure time histories obtained from engine experiments, as well as using different TRF kinetic mechanisms. Here, the results demonstrate the effectiveness of the metric as a representation of the two-stage ignition behavior in practical combustion systems, highlighting the importance of the proposed relationship, and its potential as a simple and effective OS predictor.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

A comprehensive experimental and kinetic modeling study of di-isobutylene isomers: Part 2

A wide variety of high temperature experimental data obtained in this study complement the data on the oxidation of the two di-isobutylene isomers presented in Part I and offers a basis for an extensive validation of the kinetic model developed in this study. Due to the increasing importance of unimolecular decomposition reactions in high-temperature combustion, we have investigated the di-isobutylene isomers in high dilution utilizing a pyrolysis microflow reactor and detected radical intermediates and stable products using vacuum ultraviolet (VUV) synchrotron radiation and photoelectron photoion coincidence (PEPICO) spectroscopy. Additional speciation data at oxidative conditions were also recorded utilizing a plug flow reactor at atmospheric pressure in the temperature range 725-1150 K at equivalence ratios of 1.0 and 3.0 and at residence times of 0.35 s and 0.22 s, respectively. Combustion products were analyzed using gas chromatography (GC) and mass spectrometry (MS). Ignition delay time measurements for di-isobutylene were performed at pressures of 15 and 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 diluted in 'air' in the temperature range 900-1400 K using a high-pressure shock-tube facility. New measurements of the laminar burning velocities of di-isobutylene/air flames are also presented. The experiments were performed using the heat flux method at atmospheric pressure and initial temperatures of 298-358 K. Moreover, data consistency was assessed with the help of analysis of the temperature and pressure dependencies of laminar burning velocity measurements, which was interpreted using an empirical power-law expression. Electronic structure calculations were performed to compute the energy barriers to the formation of many of the product species formed. The predictions of the present mechanism were found to be in adequate agreement with the wide variety of experimental measurements performed.

09 BIOMASS FUELS↗
DOE OSTI2024

Development of algorithms for augmenting and replacing conventional process control using reinforcement learning

Here, this work seeks to allow for the online operation and training of model-free reinforcement learning (RL) agents but limit the risk to system equipment and personnel. The parallel implementation of RL alongside more conventional process control (CPC) allows for the RL algorithm to learn from CPC. The past performance of both methods are assessed on a continuous basis allowing for a transition from CPC to RL and, if needed, transitioning back to CPC from RL. This allows for the RL algorithm to slowly and safely assume control of the process without significant degradation in control performance. It is shown that the RL can derive a near optimal policy even when coupled with a suboptimal CPC. It is also demonstrated that the coupled RL-CPC algorithm learns at a faster rate than traditional RL methods of exploration while the algorithm’s performance does not deteriorate below CPC, even when exposed to an unknown operating condition.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Dynamic mechanical behavior of lithium-ion pouch cells subjected to high-velocity impact

With broad-scale deployment of lithium-ion batteries, mechanical-abuse induced failure events such as short circuits and thermal runaway have made safety a focus of attention in battery design. Most previous studies have focused on quasi-static and low-velocity impact analyses, which could not represent the mechanical behavior of lithium-ion batteries in realistic situations. Here we report a combined experimental and computational study on the dynamic response of lithium-ion pouch cells subjected to high-velocity (200 m/s~1000 m/s) impact. Dynamic finite element simulations were performed to study the effects of internal interfacial behavior and external loading and boundary conditions on the dynamic mechanical behavior of pouch cells. Specifically, mechanical resistance across interfaces between different cell components have a pronounced impact on energy distribution and absorption, thereby determining the evolution of subsequent failure events. These results have practical implications for designing cells with liquid versus gel-type electrolytes, for example. Furthermore, finite element simulations on different external loading and boundary conditions indicate that a direct interaction between the impactor and the cell boundaries lead to a significant change in residual velocity, while the response of the pouch cell is independent of the prescribed far-field boundary conditions. In other words, there is not a significant difference in the response of pouch-format cells that have stacked electrodes versus wound electrodes at such high strain rates. These results are significantly different from quasi-static simulations wherein the evolution of failure events follows a very different pathway. In addition, the impact velocity profiles under different initial impact velocities offer the ballistic limit for the pouch cell and inform subsequent propagation analyses at the battery module level. Collectively, the findings presented here not only offer new perspectives on the role of the interfacial resistances and external boundary conditions on the mechanical safety of lithium-ion pouch cells, but also have implications for further investigations on cell design, modeling approaches, and test method development to study safety of lithium-ion batteries under extreme loading conditions.

25 ENERGY STORAGE↗
DOE OSTI2011

Comparison of SOFC Cathode Microstructure Quantified using X-ray Nanotomography and Focused Ioni Beam-scanning Electron Microscopy

X-ray nanotomography and focused ion beam scanning electron microscopy (FIB-SEM) have been applied to investigate the complex 3D microstructure of solid oxide fuel cell (SOFC) electrodes at spatial resolutions of 45 nm and below. The application of near edge differential absorption for x-ray nanotomography and energy selected backscatter detection for FIB-SEM enable elemental mapping within the microstructure. Using these methods, non-destructive 3D x-ray imaging and FIB-SEM serial sectioning have been applied to compare three-dimensional elemental mapping of the LSM, YSZ, and pore phases in the SOFC cathode microstructure. The microstructural characterization of an SOFC cathode is reported based on these measurements. The results presented demonstrate the viability of x-ray nanotomography as a quantitative characterization technique and provide key insights into the SOFC cathode microstructure.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2011

Doped Yttrium Chromite-Ceria Composite as a Redox-Stable and Sulfur-Tolerant Anode for Solid Oxide Fuel Cells

A Ca- and Co-doped yttrium chromite (YCCC) - samaria-doped ceria (SDC) composite was studied in relation to a potential use as a solid oxide fuel cell (SOFC) anode material. Tests performed using the yttria-stabilized zirconia (YSZ) electrolyte-supported cells revealed that the electrocatalytic activity of the YCCC-SDC anode towards hydrogen oxidation at 800 C was comparable to that of the Ni-YSZ anode. In addition, the YCCC-SDC anode exhibited superior sulfur tolerant characteristics showing less than 10% increase in a polarization resistance, fully reversible, upon exposure to 20 ppm H2S at 800 C. No performance degradation was observed during multiple reduction-oxidation (redox) cycles when the anode was intentionally exposed to the air environment followed by the reduction in hydrogen. The redox tolerance of the YCCC-SDC anode was attributed to the dimensional and chemical stability of the YCCC exhibiting minimal isothermal chemical expansion upon redox cycling.

08 HYDROGEN↗
DOE OSTI2017

Polarization loss correction derived from hydrogen local-resistance measurement in low Pt-loaded polymer-electrolyte fuel cells

The reduction of platinum-loading on the cathode side of polymer-electrolyte fuel cells leads to a poorly understood increase in mass-transport resistance (MTR) at high current densities. This local resistance was measured using a facile hydrogen-pump technique with dilute active gases for membrane-electrode assemblies with catalyst layers of varying platinum-loading (0.03-0.40 mgPt/cm²). Furthermore, polarization curves in H 2 /air were measured and corrected for the overpotential caused by the increased MTR for low loadings on the air side due to the reduced concentration of reactant gas at the catalyst surface. The difference in performance after correction for all resistances including the MTR is minor, suggesting its origin to be diffusive in nature, and proving the meaningfulness of the facile hydrogen-pump technique for the characterization of the cathode catalyst layer under defined operation conditions.

30 DIRECT ENERGY CONVERSION↗