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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Analytical study of mechanisms for nitric oxide formation during combustion of methane in a jet-stirred combustor

The role of chemical kinetics in the formation of nitric oxide during the combustion of methane was examined analytically by means of a detailed chemical mechanism for the oxidation of methane, for the reaction between hydrocarbon fragments, and for the formation of nitric oxide. By comparing predicted nitric oxide levels with values reported in the literature from jet-stirred combuster experiments, it was determined that the nitric oxide levels observed in fuel-rich flames cannot be described by a mechanism in which the rate of nitric oxide formation is controlled solely by the kinetics of oxygen atom formation. A proposed mechanism for the formation of nitric oxide in methane-rich flames reproduces the observed levels. The oxidation of hydrogen cyanide appears to be an important factor in nitric oxide formation.

Jachimowski, C. J.↗
DOE OSTI2022

Highly Selective Methane to Methanol Conversion on Inverse SnO 2 /Cu 2 O/Cu(111) Catalysts: Unique Properties of SnO 2 Nanostructures and the Inhibition of the Direct Oxidative Combustion of Methane

Direct methane to methanol (CH 4 → CH 3 OH) conversion in heterogeneous catalysis has been a long-standing challenge due to the difficulties in equalizing the activation of methane and protection of the methanol product at the same reaction conditions. Here, we report an inverse catalyst, consisting of small structures of SnO 2 (0.5-1 nm in size) dispersed on Cu 2 O/Cu(111), for highly selective CH 3 OH production from CH 4 . This system was investigated by combining theoretical [density functional theory calculations (DFT), kinetic Monte Carlo simulations (KMC)] and experimental methods [scanning tunneling microscopy (STM), ambient-pressure X-ray photoelectron spectroscopy (AP-XPS)]. The DFT and AP-XPS studies showed that on SnO 2 /Cu 2 O/Cu(111) the conversion of CH 4 by oxygen (O 2 ) preferred complete combustion to carbon dioxide (CO 2 ). The addition of water (H 2 O) enhanced the production of CH 3 OH to nearly 100% selectivity in KMC simulations. This trend was consistent with results of AP-XPS. The presence of water in the reaction environment rendered an extremely high amount of methoxy species (*CH 3 O), a precursor for CH 3 OH production. Further, the high CH 3 OH selectivity of SnO 2 /Cu 2 O/Cu(111) reflected the unique atomic and electronic structure of the supported SnO 2 nanoparticles. As a result, the O 2 adsorption and dissociation, and thus the full combustion of CH 4 to CO 2 , was completely suppressed; while the H 2 O dissociative adsorption was still feasible, providing active hydroxyl species for a truly selective CH 4 to CH 3 OH conversion.

03 NATURAL GAS↗
NASA NTRS1973

Heat transfer and pressure distributions on hemisphere-cylinders in methane-air combustion products at Mach 7

Heat-transfer and pressure distributions were measured over the surfaces of three hemisphere-cylinder models tested at a nominal Mach number of 7 in the Langley 8-foot high-temperature structures tunnel which uses methane-air products of combustion as a test medium. The results showed that the heat-transfer and pressure distributions over the surface of the models were in good agreement with experimental data obtained in air and also with theoretical predictions.

Weinstein, I.↗
DOE OSTI2023

An experimental and computational analysis of combustion heat release transformation in dual fuel combustion

Dual fuel (DF) diesel-methane combustion, which employs a high-reactivity fuel (diesel) to ignite a low-reactivity fuel (methane), is a widely studied combustion strategy for internal combustion engines, with significant potential for engine-out emissions reductions without the need for major hardware modifications. A phenomenon, which has been reported in the DF literature, but not explained fully, is the transformation of the shape of the apparent heat release rate (AHRR) curve as the start of injection (SOI) of diesel is advanced beyond a certain threshold; coincidentally, this AHRR transformation is usually accompanied by a sharp decrease in engine-out emissions of oxides of nitrogen (NOx). The goal of the present work is to establish the underlying physical reason(s) that cause the AHRR transformation. The AHRR transformation was observed on a single cylinder research engine (SCRE) at an indicated mean effective pressure (IMEP) of 5 bar at a speed of 1500 rev/min. The transformation occurred over a range of SOIs from 330 to 320 crank angle degrees (CAD). While the 330 CAD SOI exhibited a typical two-stage AHRR curve, with a clearly definable first-stage peak followed by a second-stage AHRR with little-to-no low temperature heat release (LTHR) present and high engine-out NOx, the 320 CAD SOI exhibited a single-stage, Gaussian-like AHRR curve, with noticeable LTHR and at least one order-of-magnitude lower NOx emissions. Here, leveraging analysis of experimental data and three-dimensional computational fluid dynamic simulations, the authors show that the AHRR transformation is impacted mainly by differences in local equivalence ratio distributions within the cylinder at ignition onset for different diesel SOIs.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1974

Effect of gravity on methane-air combustion

Analytical and numerical techniques dealing with the theoretical description of the influence of zero and reduced gravitational acceleration on diffusion flames, with a view to improving understanding of fires in space vehicles, were developed in support of experimental work performed in this area. This was done in order to confirm qualitative understanding of the process, to determine the quantitative accuracy of numerical predictions, and to establish a mathematical model of the process for subsequent use as a predictive and exploratory tool. The following results were accomplished: (1) derivation of differential equations and boundary conditions describing the system, (2) details of the computations, using a FORTRAN computer program, for calculating the flow and heat and mass transfer in two dimensions (both steady and unsteady). It was shown that the experimental behavior can be reproduced with fair accuracy, provided that the time step is sufficiently short.

Elghobashi, S.↗
NASA NTRS1992

Soot-Free Combustion Of Methane And LNG

Neither methane nor liquefied natural gas (LNG) produces soot when burned in turbine simulator with liquid oxygen under conditions like those in gas-generator section of rocket engine. Experiments conducted to determine if these fuels behave similarly to other hydrocarbon fuels, which give off soot coating turbomachinery and reducing performance.

Bossard, John↗
NASA NTRS1993

Numerical study of shock-induced combustion in methane-air mixtures

The shock-induced combustion of methane-air mixtures in hypersonic flows is investigated using a new reaction mechanism consisting of 19 reacting species and 52 elementary reactions. This reduced model is derived from a full kinetic mechanism via the Detailed Reduction technique. Zero-dimensional computations of several shock-tube experiments are presented first. The reaction mechanism is then combined with a fully implicit Navier-Stokes CFD code to conduct numerical simulations of two-dimensional and axisymmetric shock-induced combustion experiments of stoichiometric methane-air mixtures at a Mach number of M = 6.61. Applications to the ram accelerator concept are also presented.

Yungster, Shaye↗
NASA NTRS1993

Numerical study of shock-induced combustion in methane-air mixtures

The shock-induced combustion of methane-air mixtures in hypersonic flows is investigated using a new reaction mechanism consisting of 19 reacting species and 52 elementary reactions. This reduced model is derived from a full kinetic mechanism via the Detailed Reduction technique. Zero-dimensional computations of several shock-tube experiments are presented first. The reaction mechanism is then combined with a fully implicit Navier-Stokes computational fluid dynamics (CFD) code to conduct numerical simulations of two-dimensional and axisymmetric shock-induced combustion experiments of stoichiometric methane-air mixtures at a Mach number of M = 6.61. Applications to the ram accelerator concept are also presented.

Yungster, Shaye↗
NASA NTRS1976

Thermodynamic, transport, and flow properties of gaseous products resulting from combustion of methane-air-oxygen

Results of calculations to determine thermodynamic, transport, and flow properties of combustion product gases are presented. The product gases are those resulting from combustion of methane-air-oxygen and methane-oxygen mixtures. The oxygen content of products resulting from the combustion of methane-air-oxygen mixtures was similiar to that of air; however, the oxygen contained in products of methane-oxygen combustion ranged from 20 percent by volume to zero for stoichiometric combustion. Calculations were made for products of reactant mixtures with fuel percentages, by mass, of 7.5 to 20. Results are presented for specific mixtures for a range of pressures varying from 0.0001 to 1,000 atm and for temperatures ranging from 200 to 3,800 K.

Klich, G. F.↗
DOE OSTI2025

CFD modeling of near-wall combustion and unburned methane prediction in natural gas spark ignition engines

Natural gas-powered engines play a critical role in gas drilling, compression, and transmission sectors, but methane (CH 4 ) from engine combustion slip can be significant over their lifespan, contributing to atmospheric pollution and signaling reduced engine efficiency. Here, to address this challenge, computational fluid dynamics (CFD) simulations offer valuable insights into the in-cylinder combustion process, enabling the optimization of combustion strategies and engine designs to minimize unburned CH 4 slip. This study aims to evaluate and improve combustion models for simulating the combustion process and predicting unburned CH 4 concentrations in natural gas spark-ignition (SI) engines, including engines that are part of combined reformer-engine systems. Specifically, the performance of two flamelet-based combustion models—the Extended Coherent Flame Model (ECFM) and the G-equation model—was assessed using experimental engine data collected under varying excess-air ratio (λ) conditions and fuel compositions, including natural gas and syngas blends. In addition, to enhance the predictive capabilities of the G-equation model, a flame-wall interaction (FWI) sub-model was integrated into its framework. The effects of its model parameters, such as quenching and influence distance, on combustion behavior and unburned methane predictions were analyzed in detail. The ECFM tended to predict delayed combustion phasing under diluted mixture conditions, resulting in overprediction of unburned CH 4 concentrations. In contrast, the G-equation model provided reasonable predictions of combustion pressure, while representing higher the CH 4 reduction rate across the operating condition compared to experimental data. Incorporating the FWI sub-model—with the quenching distance calculated based on a pressure-dependent relation (P -0.48 ) and a fixed influence distance of 1.5 mm—further improved the G-equation model’s accuracy in predicting CH 4 reduction rates without compromising its ability to simulate the combustion process.

Combustion model↗
NASA NTRS1980

Some advantages of methane in an aircraft gas turbine

Because liquid methane may be obtained from existing natural gas sources or produced synthetically from a range of other hydrocarbon sources (coal, biomass, shale, organic waste), it is considered as an aviation fuel in a simplified cycle analysis of the performance of a turboprop engine intended for operation at Mach 0.8 and 10,688 m altitude. Performance comparisons are given for four cases in which the turbine cooling air is either not cooled or cooled to -111, -222, and -333 K, and the advantages and problems that may be expected from direct use of the cryogenic fuel in turbine cooling are discussed. It is shown that while (1) methane combustion characteristics are appreciably different from those of Jet A fuel and will require the development of different combustor designs, and (2) the safe integration of methane cryotanks into transport aircraft structures poses a major design problem, a highly fuel-efficient turboprop engine fueled by methane appears to be feasible.

Graham, R. W.↗
NASA NTRS1980

Some advantages of methane in an aircraft gas turbine

Liquid methane, which can be manufactured from any of the hydrocarbon sources such as coal, shale biomass, and organic waste considered as a petroleum replacement for aircraft fuels. A simple cycle analysis is carried out for a turboprop engine flying a Mach 0.8 and 10, 688 meters (35,000 ft.) altitude. Cycle performance comparisions are rendered for four cases in which the turbine cooling air is cooled or not cooled by the methane fuel. The advantages and disadvantages of involving the fuel in the turbine cooling system are discussed. Methane combustion characteristics are appreciably different from Jet A and will require different combustor designs. Although a number of similar difficult technical problems exist, a highly fuel efficient turboprop engine burning methane appear to be feasible.

Graham, R. W.↗
DOE OSTI2022

Modeling Combustion Reaction ODEs with Neural Networks

The chemistry of combustion reactions is complex as it involves many species and reactions. In practice, such a system is often modeled computationally using an empirically derived chemical mechanism. Given the large range of reaction rates, the system is then time evolved using a stiff ODE solver. However, even when reduced chemical mechanisms are employed, the system can become computationally expensive for two-dimensional or three-dimensional systems. Such systems can also face problems with instability. As such, it is desirable to find a cheaper, stable alternative to solving the reaction system. Neural networks offer the potential to learn these reaction ODEs and time evolve a combustion reaction in a more cost-efficient manner than stiff ODE solvers. In this study, a variety of neural networks are trained on zero-dimensional Cantera simulations of methane combustion with varying initial conditions. Several predictive approaches as well as several neural network architectures (artificial neural network with dropout, ResNet, and Neural ODE) are compared in their ability to predict combustion trajectories. Promising models are then identified.

combustion kinetics↗
NASA NTRS2003

A Role of the Reaction Kernel in Propagation and Stabilization of Edge Diffusion Flames of C1-C3 Hydrocarbons

Diffusion flame stabilization is of essential importance in both Earth-bound combustion systems and spacecraft fire safety. Local extinction, re-ignition, and propagation processes may occur as a result of interactions between the flame zone and vortices or fire-extinguishing agents. By using a computational fluid dynamics code with a detailed chemistry model for methane combustion, the authors have revealed the chemical kinetic structure of the stabilizing region of both jet and flat-plate diffusion flames, predicted the flame stability limit, and proposed diffusion flame attachment and detachment mechanisms in normal and microgravity. Because of the unique geometry of the edge of diffusion flames, radical back-diffusion against the oxygen-rich entrainment dramatically enhanced chain reactions, thus forming a peak reactivity spot, i.e., reaction kernel, responsible for flame holding. The new results have been obtained for the edge diffusion flame propagation and attached flame structure using various C1-C3 hydrocarbons.

Takahashi, Fumiaki↗
DOE OSTI2022

Effects of Synthesis Gas Concentration, Composition, and Operational Time on Tubular Solid Oxide Fuel Cell Performance

There is tremendous potential to utilize the exhaust gases and heat already present within combustion chambers to generate electrical power via solid oxide fuel cells (SOFCs). Variations in system design have been investigated as well as thorough examinations into the impacts of environmental conditions and fuel composition/concentration on SOFC performance. In an attempt to isolate the impacts of carbon monoxide and hydrogen concentration ratios within the exhaust stream, this work utilizes multi-temperature performance analyses with simulated methane combustion exhaust as fuel combined with dilute hydrogen baseline tests. These comparisons reveal the impacts of the complex reaction pathways carbon monoxide participates in when used as an SOFC fuel. Despite these complexities, performance reductions as a result of the presence of carbon monoxide are low when compared to similarly dilute hydrogen as a fuel. This provides further motivation for the continued development of SOFC-CHP systems. Stability testing performed over 80 h reveals the need for careful control of the operating environment as well as signs of carbon deposition. As a result of gas flow disruption, impacts of anode oxidation that may normally not hinder power production become significant factors in addition to coarsening of the anode material. Thermal management and strategies to minimize these impacts are a topic of future research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

CH 4 Activation over Perovskite Catalysts: True Density and Reactivity of Active Sites

The high thermal stability of perovskites has drawn attention toward their applications for catalytic CH 4 activation and conversion, typically occurring at high temperatures. The reaction rates of perovskite catalysts for CH 4 combustion, however, trail behind those of noble metal catalysts. Ways to optimize the performance of perovskite catalysts are destined to trial-and-error approaches unless their complex reconstructed surfaces are correlated with fundamental kinetic parameters. Discerning the intrinsic activity of surface catalytic sites and the density of those sites is crucial to rationally envision complex metal oxides with enhanced catalytic performance. Here, the present work presents a detailed kinetic analysis of catalytic CH 4 combustion over a set of seven perovskites (SrTiO 3 , SrZrO 3 , SrFeO 3 , LaFeO 3 , LaInO 3 , LaCoO 3 , LaMnO 3 ) with various surface terminations. Steady-state isotopic transient kinetic analysis was employed to measure turnover frequency (TOF) and density of surface intermediates (N) under operando conditions. Top surface characterization elucidated performance-structure relationships between near-monolayer surface composition and intrinsic reactivity of the catalysts. By using a chemical etching procedure to expose Fe-sites at the top surface of LaFeO 3 (LaFeO 3 , HNO 3 ), its TOF was increased 4-fold, compared with the unmodified sample, although N on the surface of LaFeO 3 , HNO 3 decreased. Density functional theory simulations corroborated that surface Fe-termination and La-Fe termination offer lower energetic barriers for CH 4 activation when compared with La-termination. In general, surface reconstruction is shown as a tool to tune TOF and N to improve reaction rates. This work fills a gap in current kinetic studies of perovskites through a careful assessment and discussion of the density and intrinsic reactivity of active sites for methane combustion over well-characterized reconstructed perovskite surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗