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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 NTRS2001

Experimental and Computational Study of Trapped Vortex Combustor Sector Rig with Tri-pass Diffuser

The Trapped Vortex Combustor (TVC) potentially offers numerous operational advantages over current production gas turbine engine combustors. These include lower weight, lower pollutant emissions, effective flame stabilization, high combustion efficiency, excellent high altitude relight capability, and operation in the lean burn or RQL (Rich burn/Quick mix/Lean burn) modes of combustion. The present work describes the operational principles of the TVC, and provides detailed performance data on a configuration featuring a tri-pass diffusion system. Performance data include EINOx (NO(sub x) emission index) results for various fuel-air ratios and combustor residence times, combustion efficiency as a function of combustor residence time, and combustor lean blow-out (LBO) performance. Computational fluid dynamics (CFD) simulations using liquid spray droplet evaporation and combustion modeling are performed and related to flow structures observed in photographs of the combustor. The CFD results are used to understand the aerodynamics and combustion features under different fueling conditions. Performance data acquired to date are favorable in comparison to conventional gas turbine combustors. Further testing over a wider range of fuel-air ratios, fuel flow splits, and pressure ratios is in progress to explore the TVC performance. In addition, alternate configurations for the upstream pressure feed, including bi-pass diffusion schemes, as well as variations on the fuel injection patterns, are currently in test and evaluation phases.

Hendricks, Robert C.↗

NASA NTRS2004

Experimental and Computational Study of Trapped Vortex Combustor Sector Rig With Tri-Pass Diffuser

The Trapped Vortex Combustor (TVC) potentially offers numerous operational advantages over current production gas turbine engine combustors. These include lower weight, lower pollutant emissions, effective flame stabilization, high combustion efficiency, excellent high altitude relight capability, and operation in the lean burn or RQL modes of combustion. The present work describes the operational principles of the TVC, and extends diffuser velocities toward choked flow and provides system performance data. Performance data include EINOx results for various fuel-air ratios and combustor residence times, combustion efficiency as a function of combustor residence time, and combustor lean blow-out (LBO) performance. Computational fluid dynamics (CFD) simulations using liquid spray droplet evaporation and combustion modeling are performed and related to flow structures observed in photographs of the combustor. The CFD results are used to understand the aerodynamics and combustion features under different fueling conditions. Performance data acquired to date are favorable compared to conventional gas turbine combustors. Further testing over a wider range of fuel-air ratios, fuel flow splits, and pressure ratios is in progress to explore the TVC performance. In addition, alternate configurations for the upstream pressure feed, including bi-pass diffusion schemes, as well as variations on the fuel injection patterns, are currently in test and evaluation phases.

Hendricks, R. C.↗

DOE OSTI2022

Editorial: Particulate Matter Emissions From Conventional and Reformulated Fuel Combustion: Advances in Experiments and Simulations

Particulate matter (PM or soot) emissions generated by combustion of conventional and reformulated fuels adversely impact the environment and human health (Bond et al., 2013; Landrigan et al., 2018; World Health Organization (WHO), 2016), generating public awareness and motivating efforts towards the mitigation of their harmful effects. Soot formation is one of the most complex phenomena in combustion, involving interactions between combustion chemistry, fluid mechanics, mass/heat transport, and particle dynamics, spanning different spatial and temporal scales. A fundamental understanding of soot formation process is thus necessary to achieve a strong reduction of PM emissions and design cleaner and more efficient combustion systems. This has motivated a longstanding and ongoing research activity aimed at improving our understanding of the physical and chemical processes involved in soot formation, well reviewed in these recent works (Wang and Chung, 2019; Michelsen et al., 2020; Martin et al., 2022). Despite the wide interest, the transition from gas-phase molecules to incipient soot particles is still elusive and the successive particle growth and oxidation processes are far from being fully understood, especially in conditions relevant to real-world applications. Recent advances in combustion PM emission diagnostic and computational capabilities helped in improving the predictability of fundamental chemical and aerosol models for practical applications, thus tackling some of the above-mentioned challenges. The aim of this research topic is to display the ongoing research efforts in addressing the existing gaps on particulate formation from various fuel sources and in conditions typical of practical combustion applications (e.g. flames, engines, pool fires), through both experimental and numerical approaches.

42 ENGINEERING↗

DOE OSTI2020

Numerical study of advanced compression ignition and combustion in a gasoline direct injection engine

Multi-mode combustion strategies may provide a considerable thermal efficiency improvement targeted at part-load operating conditions for light-duty spark-ignition (SI) engines. The extension from boosted SI mode at high loads to advanced compression ignition (ACI) mode at low loads can be achieved by increasing compression ratio and utilizing intake air heating. In order to enable an accurate control of intake charge condition for ACI control and rapid mode-switches, it is essential to gain fundamental insight into the autoignition process with regard to thermal and fuel-air mixture stratification in the combustion chamber. In this work, a computational fluid dynamics (CFD) study is carried out to reveal some degrees of correlation between the mixture and thermal stratifications induced by the cylinder wall temperature and combustion-phasing across varying engine load conditions. The computational analysis begins with a calibrated simulation setup best matching the engine experiments, and subsequently evaluates the baseline setup for an extended range of engine load conditions for two excess-air ratio cases. The present study emphasizes the dominance of thermal stratifications for autoignition process due to wall temperature effects depending on the engine load conditions of interest. In addition, this study also aims to provide insight into the impact of mixture stratification on cyclic variability, especially at colder wall engine conditions (e.g., cold start). Observations herein provide highlight of the propensity of autoignition in correlation with mixture reactivity space.

Advanced Compression Ignition (ACI) engine↗

NASA NTRS2000

Catalyst Bed Instability Within the USFE H2O2/JP-8 Rocket Engine

Orbital Sciences Corporation has been awarded a contract by NASA's Marshall Space Flight Center, in cooperation with the U.S. Air Force Research Laboratory's Military Space Plane Technology Program Office, for the Upper Stage Flight Experiment (USFE) program. Orbital is designing, developing, and will flight test a new low-cost, 10,000 lbf hydrogen peroxide/ JP-8 pressure fed liquid rocket. During combustion chamber tests at NASA Stennis Space Center (SSC) of the USFE engine, the catalyst bed showed a low frequency instability occurring as the H202 flow reached about 1/3 its design rate. This paper reviews the USFE catalyst bed and combustion chamber and its operation, then discusses the dynamics of the instability. Next the paper describes the dynamic computer model used to recreate the instability. The model was correlated to the SSC test data, and used to investigate possible solutions to the problem. The combustion chamber configuration which solved the instability is shown, and the subsequent stable operation presented.

Johnson, Curtis W.↗

NASA NTRS2015

Investigation of Combustion Control in a Dump Combustor Using the Feedback Free Fluidic Oscillator

A feedback free fluidic oscillator was designed and integrated into a single element rocket combustor with the goal of suppressing longitudinal combustion instabilities. The fluidic oscillator uses internal fluid dynamics to create an unsteady outlet jet at a specific frequency. An array of nine fluidic oscillators was tested to mimic modulated secondary oxidizer injection into the combustor dump plane. The combustor has a coaxial injector that uses gaseous methane and decomposed hydrogen peroxide with an overall O/F ratio of 11.7. A sonic choke plate on an actuator arm allows for continuous adjustment of the oxidizer post acoustics enabling the study of a variety of instability magnitudes. The fluidic oscillator unsteady outlet jet performance is compared against equivalent steady jet injection and a baseline design with no secondary oxidizer injection. At the most unstable operating conditions, the unsteady outlet jet saw a 67% reduction in the instability pressure oscillation magnitude when compared to the steady jet and baseline data. Additionally, computational fluid dynamics analysis of the combustor gives insight into the flow field interaction of the fluidic oscillators. The results indicate that open loop high frequency propellant modulation for combustion control can be achieved through fluidic devices that require no moving parts or electrical power to operate.

Meier, Eric J.↗

NASA NTRS1985

Laser Schlieren and ultraviolet diagnostics of rocket combustion

A low pressure oxygen/hydrogen turbine drive combustor hot-fire test series was conducted on the Turbine Drive Combustor Technology Program. The first objective was to gather data on an axisymmetric combustion system to support anchoring of a new combustion/fluid dynamics computer code under development on the same contract. The second objective was to gain insight into low mixture ratio combustion characteristics of coaxial injector elements.

Fisher, S. C.↗

DOE OSTI2021

North American boreal forests are a large carbon source due to wildfires from 1986 to 2016

Wildfires are a major disturbance to forest carbon (C) balance through both immediate combustion emissions and post-fire ecosystem dynamics. Here we used a process-based biogeochemistry model, the Terrestrial Ecosystem Model (TEM), to simulate C budget in Alaska and Canada during 1986–2016, as impacted by fire disturbances. We extracted the data of difference Normalized Burn Ratio (dNBR) for fires from Landsat TM/ETM imagery and estimated the proportion of vegetation and soil C combustion. We observed that the region was a C source of 2.74 Pg C during the 31-year period. The observed C loss, 57.1 Tg C year -1 , was attributed to fire emissions, overwhelming the net ecosystem production (1.9 Tg C year -1 ) in the region. Our simulated direct emissions for Alaska and Canada are within the range of field measurements and other model estimates. As burn severity increased, combustion emission tended to switch from vegetation origin towards soil origin. When dNBR is below 300, fires increase soil temperature and decrease soil moisture and thus, enhance soil respiration. However, the post-fire soil respiration decreases for moderate or high burn severity. The proportion of post-fire soil emission in total emissions increased with burn severity. Net nitrogen mineralization gradually recovered after fire, enhancing net primary production. Net ecosystem production recovered fast under higher burn severities. The impact of fire disturbance on the C balance of northern ecosystems and the associated uncertainties can be better characterized with long-term, prior-, during- and post-disturbance data across the geospatial spectrum. Our findings suggest that the regional source of carbon to the atmosphere will persist if the observed forest wildfire occurrence and severity continues into the future.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2002

Spray and High-Pressure Flow Computations in the National Combustion Code (NCC) Improved

Sprays occur in a wide variety of industrial and power applications and in materials processing. A liquid spray is a two-phase flow with a gas as the continuous phase and a liquid as the dispersed phase in the form of droplets or ligaments. The interactions between the two phases--which are coupled through exchanges of mass, momentum, and energy--can occur in different ways at disparate time and length scales involving various thermal, mass, and fluid dynamic factors. An understanding of the flow, combustion, and thermal properties of a rapidly vaporizing spray requires careful modeling of the ratecontrolling processes associated with turbulent transport, mixing, chemical kinetics, evaporation, and spreading rates of the spray, among many other factors. With the aim of developing an efficient solution procedure for use in multidimensional combustor modeling, researchers at the NASA Glenn Research Center have advanced the state-of-the-art in spray computations in several important ways.

Raju, Manthena S.↗

NASA NTRS2013

Status on the Verification of Combustion Stability for the J-2X Engine Thrust Chamber Assembly

Development is underway of the J -2X engine, a liquid oxygen/liquid hydrogen rocket engine for use on the Space Launch System. The Engine E10001 began hot fire testing in June 2011 and testing will continue with subsequent engines. The J -2X engine main combustion chamber contains both acoustic cavities and baffles. These stability aids are intended to dampen the acoustics in the main combustion chamber. Verification of the engine thrust chamber stability is determined primarily by examining experimental data using a dynamic stability rating technique; however, additional requirements were included to guard against any spontaneous instability or rough combustion. Startup and shutdown chug oscillations are also characterized for this engine. This paper details the stability requirements and verification including low and high frequency dynamics, a discussion on sensor selection and sensor port dynamics, and the process developed to assess combustion stability. A status on the stability results is also provided and discussed.

Casiano, Matthew↗

NASA NTRSDate not supplied

Computational Fluid Dynamics Simulation of the Swordfish Oxygen/Methane Rotating Detonation Rocket Engine

Rotating Detonation Rocket Engines (RDREs) provide several theoretical performance benefits over traditional deflagration combustion rocket engines. RDREs can potentially generate higher specific impulse (ISP) for a given propellant combination enabling significant consumable mass savings for a spaceflight vehicle. Conversely, RDREs are a relatively new technology with a shallower analytical modeling base compared to traditional combustion engine architectures. In this work, we utilize time-accurate, Computational Fluid Dynamics (CFD) modeling to simulate the complex fluid environment inside an RDRE combustion chamber and propellant manifolds. The selected engine of study is the Swordfish RDRE which was developed and tested and at the National Aeronautics and Space Administration (NASA) Marshall Space Flight Center (MSFC). CFD simulations were conducted using the as-tested Swordfish geometry and conditions to facilitate comparison between the analytical predictions and experimental results.

Brian R. Richardson↗

NASA NTRS1990

The aerospace plane design challenge - Credible computational fluid dynamics results

In order to establish the credibility of CFD results utilized in aerospace plane design, the following topics are discussed: CFD validation in relation to 'measureable' fluid dynamics (MFD) validation, credibility requirements, responsibility for credibility, and a guide for establishing credibility. What is of paramount concern for fluid dynamic design is not CFD code validation but qualification of CFD unknowns so that their magnitude is greatly reduced and that these uncertainties are employed for designing with margin. The designers must be trained to properly use CFD if they are to produce good designs. In approximately 70 percent of the flight envelopes of SSTO aerospace planes with supersonic combustion, CFD will be necessary to determine dynamics performance and specifications.

Mehta, Unmeel B.↗

DOE OSTI2020

Numerical Investigation of Fuel Property Effects on Mixed-Mode Combustion in a Spark-Ignition Engine

In this research, lean mixed-mode combustion is numerically investigated using computational fluid dynamics (CFD) in a spark-ignition engine. A new E30 fuel surrogate is developed using a neural network model with matched octane numbers. A skeletal mechanism is also developed by automated mechanism reduction and by incorporating a NO x submechanism. A hybrid approach that couples the G-equation model and the well-stirred reactor model is employed for turbulent combustion modeling. The developed CFD model is shown to well predict pressure and apparent heat release rate (AHRR) traces compared with experiment. Two types of combustion cycles (deflagration-only and mixed-mode cycles) are observed. The mixed-mode cycles feature early flame propagation and subsequent end-gas auto-ignition, leading to two distinctive AHRR peaks. The validated CFD model is then employed to investigate the effects of NO x chemistry. The NO x chemistry is found to promote auto-ignition through the residual gas, while the deflagration phase remains largely unaffected. Sensitivity analysis is finally performed to understand effects of fuel properties, including heat of vaporization (HoV) and laminar flame speed (S L ). An increased HoV tends to suppress auto-ignition through charge cooling, while the impact of HoV on flame propagation is insignificant. In contrast, an increased S L is found to significantly promote both flame propagation and end-gas auto-ignition. The promoting effect of S L on auto-ignition is not a direct chemical effect; it is rather caused by an advancement of the combustion phasing, which increases compression heating of the end-gas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Plasma Assisted Combustion and Chemical Processing: Chapter 9 - Plasma Diagnostics

Plasma dynamics and chemistry have a broad range of timescales from picoseconds to milliseconds. In addition, it involves nonequilibrium energy transfer between electrons, ions, electronically and vibrationally excited states, radicals, intermediate species, and reactants and products as well as surface charges and chemistry. To understand plasma physics and chemistry, it is essential to conduct time and space resolved, quantitative detection of nonequilibrium temperature distributions, electron energy and number density, electric field, and species concentrations. There are enormous publications and review articles on this subject. The focus of this chapter is to be placed on the most recent progress in gas phase plasma properties and chemistry, especially on optical emission spectroscopy, laser absorption spectroscopy, Faraday rotational spectroscopy, Raman and Thompson scattering, femtosecond and picosecond (fs/ps) coherent anti-Stokes Raman scattering (CARS) spectroscopy, and electric field-induced second harmonic generation methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1993

Computational analysis of Variable Thrust Engine (VTE) performance

The Variable Thrust Engine (VTE) of the Orbital Maneuvering Vehicle (OMV) uses a hypergolic propellant combination of Monomethyl Hydrazine (MMH) and Nitrogen Tetroxide (NTO) as fuel and oxidizer, respectively. The performance of the VTE depends on a number of complex interacting phenomena such as atomization, spray dynamics, vaporization, turbulent mixing, convective/radiative heat transfer, and hypergolic combustion. This study involved the development of a comprehensive numerical methodology to facilitate detailed analysis of the VTE. An existing Computational Fluid Dynamics (CFD) code was extensively modified to include the following models: a two-liquid, two-phase Eulerian-Lagrangian spray model; a chemical equilibrium model; and a discrete ordinate radiation heat transfer model. The modified code was used to conduct a series of simulations to assess the effects of various physical phenomena and boundary conditions on the VTE performance. The details of the models and the results of the simulations are presented.

Giridharan, M. G.↗

NASA NTRS1993

Liquid propellant rocket engine combustion simulation with a time-accurate CFD method

Time-accurate computational fluid dynamics (CFD) algorithms are among the basic requirements as an engineering or research tool for realistic simulations of transient combustion phenomena, such as combustion instability, transient start-up, etc., inside the rocket engine combustion chamber. A time-accurate pressure based method is employed in the FDNS code for combustion model development. This is in connection with other program development activities such as spray combustion model development and efficient finite-rate chemistry solution method implementation. In the present study, a second-order time-accurate time-marching scheme is employed. For better spatial resolutions near discontinuities (e.g., shocks, contact discontinuities), a 3rd-order accurate TVD scheme for modeling the convection terms is implemented in the FDNS code. Necessary modification to the predictor/multi-corrector solution algorithm in order to maintain time-accurate wave propagation is also investigated. Benchmark 1-D and multidimensional test cases, which include the classical shock tube wave propagation problems, resonant pipe test case, unsteady flow development of a blast tube test case, and H2/O2 rocket engine chamber combustion start-up transient simulation, etc., are investigated to validate and demonstrate the accuracy and robustness of the present numerical scheme and solution algorithm.

Chen, Y. S.↗

NASA NTRS1993

Modeling of Non-Spherical Droplet Dynamics

A two-dimensional time-dependent computer code based on the modified Arbitrary Lagrangian Eulerian (ALE) technique, has been developed to simulate non-spherical droplet dynamics and evaporation under convective flows at real rocket combustion chamber conditions. The equations of mass, momentum, energy and species are simultaneously solved for both liquid and gas phases with an accurate dynamic interface tracking. The jump boundary conditions across the deforming droplet surface are obtained by applying the integral forms of conservation of mass, momentum, and energy. At each time step, the interface geometry and flow properties at the droplet surface are implicitly solved by satisfying the interface boundary conditions. A Lagrangian technique was developed to track the arbitrarily moving interface between the liquid droplet and the external gas. An elliptic grid generator is adopted to dynamically reconstruct grids both inside and outside the droplet surface. This code has been used to study droplet oscillation, droplet deformation/breakup, nonspherical droplet evaporation in both low and high pressure convective flows. This presentation briefly describes the numerical algorithm for modeling of the nonspherical droplet dynamics and demonstrates the representative simulation results of nonspherical droplet evaporation at low and high pressure convective flows. Potential applications of this code to rocket combustor design and performance predictions are discussed.

Deng, Zheng-Tao↗