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At least 73 records · Page 4

Effects of buoyancy on gas jet diffusion flames - Experiment and theory

Theoretical and experimental research on the effects of buoyancy on gas-jet diffusion flames is described. Part of this research involves an assessment of existing data obtained under reduced-gravity conditions. The results show that uncertainties in the current understanding of flame structure exist and further research is required before reliable predictions of ignition, stabilization, and propagation of flames under microgravity conditions can be made. Steady-state and transient theories have been developed and used in the analysis of existing drop-tower data and new data obtained from a stationary experiment involving inverted flames. The result of this research has led to the definition of a microgravity experiment to be performed in space.

Edelman, R. B.↗

Fire safety design considerations for advanced space vehicles

The desire to understand and explore space has driven man to overcome the confines of the Earth's atmosphere and accept the challenge of spaceflight. With our increasing ability to travel, work, and explore in space comes a need for a better understanding of the hazards in this relatively new endeavor. One of the most important and immediate needs is to be able to predict the ignition, spread, and growth of fire on board spacecraft. Fire safety aboard spacecraft has always been a concern; however, with the increasing number and duration of proposed missions, it is imperative that the spacecraft be designed with a solid understanding of fire hazards, insuring that all risks have been minimized and extinguishment systems are available.

Source record↗

Program Computes Sound Pressures at Rocket Launches

Launch Vehicle External Sound Pressure is a computer program that predicts the ignition overpressure and the acoustic pressure on the surfaces and in the vicinity of a rocket and launch pad during launch. The program generates a graphical user interface (GUI) that gathers input data from the user. These data include the critical dimensions of the rocket and of any launch-pad structures that may act as acoustic reflectors, the size and shape of the exhaust duct or flame deflector, and geometrical and operational parameters of the rocket engine. For the ignition-overpressure calculations, histories of the chamber pressure and mass flow rate also are required. Once the GUI has gathered the input data, it feeds them to ignition-overpressure and launch-acoustics routines, which are based on several approximate mathematical models of distributed sources, transmission, and reflection of acoustic waves. The output of the program includes ignition overpressures and acoustic pressures at specified locations.

Ogg, Gary↗

A transported Livengood-Wu integral model for knock prediction in CFD simulation

This work describes the development of a transported Livengood-Wu (L-W) integral model for computational fluid dynamics (CFD) simulation to predict auto-ignition and engine knock tendency. The currently employed L-W integral model considers both single-stage and two-stage ignition processes, thus can be generally applied to different fuels such as paraffin, olefin, aromatics and alcohol. The model implementation is first validated in simulations of homogeneous charge compression ignition combustion for three different fuels, showing good accuracy in prediction of auto-ignition timing for fuels with either single-stage or two-stage ignition characteristics. Then, the L-W integral model is coupled with G-equation model to indicate end-gas auto-ignition and knock tendency in CFD simulations of a direct injection spark ignition engine. This modeling approach is about 10 times more efficient than the ones that based on detailed chemistry calculation and pressure oscillation analysis. Two fuels with same Research Octane Number (RON) but different octane sensitivity are studied, namely Co-Optima Alkylate and Co-Optima E30. Feed-forward neural network model in conjunction with multi-variable minimization technique is used to generate fuel surrogates with targets of matched RON, octane sensitivity and ethanol content. The CFD model is validated against experimental data in terms of pressure traces and heat release rate for both fuels under a wide range of operating conditions. The knock tendency indicated by the fuel energy contained in the auto-ignited region of the two fuels at different load conditions correlates well with the experimental results and the fuel octane sensitivity, implying the current knock modeling approach can capture the octane sensitivity effect and can be applied to further investigation on composition of octane sensitivity.

Yue, Zongyu↗

A Model of Reduced Kinetics for Alkane Oxidation Using Constituents and Species for N-Heptane

The reduction of elementary or skeletal oxidation kinetics to a subgroup of tractable reactions for inclusion in turbulent combustion codes has been the subject of numerous studies. The skeletal mechanism is obtained from the elementary mechanism by removing from it reactions that are considered negligible for the intent of the specific study considered. As of now, there are many chemical reduction methodologies. A methodology for deriving a reduced kinetic mechanism for alkane oxidation is described and applied to n-heptane. The model is based on partitioning the species of the skeletal kinetic mechanism into lights, defined as those having a carbon number smaller than 3, and heavies, which are the complement of the species ensemble. For modeling purposes, the heavy species are mathematically decomposed into constituents, which are similar but not identical to groups in the group additivity theory. From analysis of the LLNL (Lawrence Livermore National Laboratory) skeletal mechanism in conjunction with CHEMKIN II, it is shown that a similarity variable can be formed such that the appropriately non-dimensionalized global constituent molar density exhibits a self-similar behavior over a very wide range of equivalence ratios, initial pressures and initial temperatures that is of interest for predicting n-heptane oxidation. Furthermore, the oxygen and water molar densities are shown to display a quasi-linear behavior with respect to the similarity variable. The light species ensemble is partitioned into quasi-steady and unsteady species. The reduced model is based on concepts consistent with those of Large Eddy Simulation (LES) in which functional forms are used to replace the small scales eliminated through filtering of the governing equations; in LES, these small scales are unimportant as far as the overwhelming part of dynamic energy is concerned. Here, the scales thought unimportant for recovering the thermodynamic energy are removed. The concept is tested by using tabular information from the LLNL skeletal mechanism in conjunction with CHEMKIN II utilized as surrogate ideal functions replacing the necessary functional forms. The test reveals that the similarity concept is indeed justified and that the combustion temperature is well predicted, but that the ignition time is over-predicted, a fact traced to neglecting a detailed description of the processes leading to the heavies chemical decomposition. To palliate this deficiency, functional modeling is incorporated into this conceptual reduction in addition to the modeling the evolution of the global constituent molar density, the enthalpy evolution of the heavies, the contribution to the reaction rate of the unsteady lights from other light species and from the heavies, the molar density evolution of oxygen and water, and the mole fractions of the quasisteady light species. The model is compact in that there are only nine species-related progress variables. Results are presented showing the performance of the model for predicting the temperature and species evolution. The model reproduces the ignition time over a wide range of equivalence ratios, initial pressure, and initial temperature.

Harstad, Kenneth G.↗

Understanding fundamental effects of biofuel structure on ignition and physical fuel properties

The development of biochemicals and biofuels with advantaged properties of higher combustion efficiency at lower emission levels can be aided by a priori prediction of critical global characteristics based on molecular structure. Existing predictive techniques are incomplete for comprehensive ignition and physical fuel property prediction. Here this investigation focuses on filling this knowledge gap by developing a priori prediction techniques for predicting important ignition as well as physical fuel properties of promising advantaged biofuels. We demonstrate the utility of this a priori prediction technique on saturated (≤C 5 ) alcohols, both linear and branched in nature by correlating their molecular structure with both important ignition and physical properties of the fuels. This work utilizes a semi-automated method of predicting ignition characteristics via accurate fundamental-based calculations of the fuel radical cascades that govern low-temperature combustion. This numerical methodology is supported by the relevant fuel ignition delay time (IDT) and research octane number (RON) data experimentally measured by the Advanced Fuel Ignition Delay Analyzer (AFIDA). Phyiscal fuel property trends are also analyzed by correlating the molecular structure of the fuel to its physical characteristics. Based on their molecular structure, recommendations are made on an a priori method for selecting biofuels that have advantaged properties for the selected fuel application. Lastly, the utility of this investigation is extended beyond the subset of alcohols considered by analyzing the IDT trends of i-Pentanol and n-Hexanol, revealing the fidelity of the novel kinetic modelling approach and the accuracy of the predicted trends in this study.

09 BIOMASS FUELS↗

Model predictive control of mixing controlled compression ignition operation for low reactivity fuels

Using gasoline or other low reactivity fuels with a pilot injection or port fuel injection in a compression ignition engine has shown great potential in reducing NOx emissions while keeping high thermal efficiency compared to diesel. However, excessive combustion noise is caused by a high maximum pressure rise rate in the cylinder due to the higher fractions of premixed charge of the low-reactivity fuel. This noise can result in structural damage to engine components and as such, combustion noise limits the range of the operating parameters and makes the control of such engines challenging. In this study, a simulation environment was built up in MATLAB/Simulink leveraging a physics-based zero-dimension combustion model to capture the in-cylinder pressure time traces as well as metrics relevant to thermal efficiency and combustion noise. Here, in order to also facilitate the control of emissions, machine learning models were investigated to capture NOx emissions. A kernel-based extreme learning machine (K-ELM) performed best and had a coefficient of correlation (R-squared) of 0.998. The combustion and NOx emission models are valid for not only conventional gasoline fuel but also oxygenated alternative fuel blends at three different pilot injection strategies. In order to track key combustion metrics while keeping noise and emissions within constraints, a model predictive control (MPC) was applied for a compression ignition engine operating with a range of potential fuels and fuel injection strategies. The MPC is validated under different scenarios, including a load step change, fuel type change, and injection strategy change, with proportional–integral (PI) control as the baseline. The simulation results show that MPC reduces about 26% of ringing intensity in the transient process and 17% at the steady state for E30. Generally, MPC can optimize the overall performance through modifying the main injection timing, pilot fuel mass, and exhaust gas recirculation (EGR) fraction.

42 ENGINEERING↗

Convective heating of solid propellant during ignition

A pattern search optimization procedure is used to deduce from test data on the solid rocket boosters of the Space Shuttle the convective heat transfer coefficients between the igniter and main motor combustion gases and the surface of the solid propellant by utilizing a spatial and temporal ignition transient analysis. The 'best' convective coefficients are found which will minimize the overall deviation of the analytical prediction from the ignition transient test data. Computationally, this is achieved by treating the motor in such a way that only four optimization variables must be determined. The resulting coefficients greatly improve the prediction capabilities of the ignition transient analysis for the Space Shuttle SRM.

Murph, J. E.↗

Probing the antiknock effect of anisole through an ignition, speciation and modeling study of its blends with isooctane

In order to unravel the reaction pathways relevant to anisole co-oxidation within a fuel blend, a detailed study of isooctane/anisole blends was performed with the ULille RCM. Ignition delays as well as mole fraction profiles were measured during a two-stage ignition delay using sampling and GC techniques. These results are used to validate a kinetic model developed from ab initio calculations for the most relevant rate constants which included H-atom abstraction reactions from anisole, and reactions on the potential energy surfaces of methoxyphenyl + O 2 and anisyl + O 2 . Pressure dependent rate constants were computed for the methoxyphenyl + O 2 and anisyl + O 2 reactive systems using master equation code analysis. The new kinetic model shows good agreement with the experimental data. Dual brute-force sensitivity analysis was performed, on both first- and second-stages of ignition, allowing the identification of the most important reactions in the prediction of both ignition delays. It was observed that while pure anisole does not show NTC behavior, a 60/40 isooctane/anisole blend displays such behavior, as well as two-stage ignition. This suggests anisole addition may not be as beneficial to knock resistance as expected from its high octane number. The kinetic modeling results demonstrate the importance of H-abstraction reactions both from the methoxy group and from the aryl ring in ortho-position and the addition of the resultant radicals to O2, mostly leading to the formation of polar or non-aromatic products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling the role of EGR olefins at advanced combustion conditions in the presence of nitric oxide: Ethylene, propene and isobutene

We report the role of EGR (exhaust gas recirculation) olefinic constituents at advanced combustion conditions in the presence of nitric oxide is unraveled in this study through experimental and modeling efforts using a twin-piston rapid compression machine operating at a stochiometric fuel loading with 20% EGR by mass, pressures of 20 and 40 bar, and temperatures from 680 to 950 K. Five different levels of olefin addition, focusing on ethylene, propene and isobutene, with a fixed amount of NO at 70 ppm are doped into test mixtures of PACE-20, a multi-component gasoline surrogate, where olefin addition effects are characterized through changes in ignition times and heat release rates. Experiments indicate that all three EGR olefins inhibit autoignition reactivity and low-temperature heat release at Tc < 850 K, with isobutene exhibiting the greatest impact, while at Tc > 850 K, low ethylene and propene additions promote reactivity. A recently updated chemical kinetic model, with detailed gasoline/NO x interacting and olefin/NO x interacting chemistry incorporated, is adopted to simulate the experiments. Simulation results are somewhat inconsistent with the experiments, where the model captures the inhibiting effects of all olefins on first-stage ignition reactivity, while consistently predicting a promoting effect on main ignition reactivity. Sensitivity and rate of production analyses reveal that adding olefins greatly alters the role of the consuming pathways for the olefins and their primary derivatives at the initial stage of the oxidation process, particularly with the presence of NO, where the olefins and their derivatives interact with both NO x species such as NO 2 and other species such as OH and HO 2 . The olefin/NO x interactions are particularly pronounced with propene and isobutene addition, where these lead to increased ignition reactivity by facilitating NO production and are mostly responsible for the disagreement between the model and experiments. Further investigations of olefin interacting chemistry, particularly those with NOx species, are needed for chemistry models to accurately predict the complicated effects of EGR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Swelling and permeability effects during propellant cookoff

Large rocket motors may violently explode when exposed to accidental fires. Even hot metal fragments from a nearby accident may penetrate the propellant and ultimately cause thermal ignition. A mechanistic understanding of heated propellants leading to thermal runaway is a major unsolved problem. Here we show that thermal ignition in propellants can be predicted using a universal cookoff model coupled to a micromechanics pressurization model. Our model predicts the time to thermal ignition in cookoff experiments with variable headspace volumes. Furthermore, we found that experiments with headspace volumes are more prone to deformation which distorts pores and causes increased permeability when the propellant expands into this headspace. Delayed ignition with larger headspace volume correlates with lower headspace pressures during decomposition. We found that our predictions matched experimental measurements best when the initial propellant was impermeable to gas flow rather than being permeable. Similar behavior is expected with other energetic materials with rubbery binders. Our model is validated using data from a separate laboratory. We also present an uncertainty analysis using Latin Hypercube Sampling (LHS) of thermal ignition caused by a steel fragment embedded in the propellant.

33 ADVANCED PROPULSION SYSTEMS↗

Modeling delayed thermal runaway in nitric acid-soaked cat litter mixed with radioactive waste

Thermal ignition of radioactive waste within a 55-gallon drum was simulated by using a pressure-dependent waste decomposition model (Hobbs et al. in Process Saf Environ Prot https://doi.org/10.1016/j.psep.2022.09.047, 2022) calibrated with data from full-scale drum experiments (Parker et al. in The thermolytic response of a surrogate RNS waste mixture at the drum scale. Los Alamos National Laboratory Report LA-UR-16-21760, 2016) and validated with experiments from multiple laboratories (Hobbs et al. in Thermal analysis of aged nitric acid-soaked kitty litter in TRU waste drums-23370.WM2023 Conference, Phoenix, AZ, 2023). The acceleration of nitric acid chemistry reacting with an organic cat litter leading to thermal ignition was likely triggered by a restricted vent in the drum. Here, we address whether the form of the rate equation in (Hobbs et al. in Process Saf Environ Prot https://doi.org/10.1016/j.psep.2022.09.047, 2022) is sufficient to extrapolate thermal ignition within aged drums of similar content that have been stored in Texas for over nine years by investigating four different reaction rate forms for waste decomposition. A critical reaction rate reduction analysis is performed on each of these models to determine if delayed thermal runaway within vented aged waste is possible after nine years. We found that a pressure-dependent first-order rate expression not only predicted the accidental ignition of the waste drum, but the form also matches multiple experiments from different laboratories. Even though the waste composition decreases over time, the model predicts that acceleration leading to thermal runaway is possible if the waste is confined, even after 9 years. In conclusion, waste containing oxidizers such as nitric acid should not be mixed with organic adsorbents, especially if the waste is confined.

cookoff↗

Theoretical studies of the ignition and combustion of silane-hydrogen-air mixtures

A chemical kinetic mechanism is proposed for the combustion of silane-hydrogen-oxygen-nitrogen mixtures in the initial temperature range from 800K to 1250K and pressure range from 0.5 to 1.35 atm. The mechanism yields results which are in agreement with published ignition delay times obtained from shock tube experiments. Comparisons between the results obtained using the proposed mechanism and that of an alternative mechanism reveal that the former predicts appreciably shorter ignition delay times, but a flame blowout envelope which is shifted so as to decrease the stable flame region. Over much of the thermodynamic range examined, the mechanism predicts long reaction times. A three step global mechanism is proposed which closely models the ignition phase of SiH4 - H2 - air combustion; however, the reaction phase is less well reproduced by the global model. The necessity for additional experimental data to further assess the proposed models is stressed.

Chinitz, W.↗

Model predictive combustion control of a Gasoline Compression Ignition engine

Gasoline Compression Ignition is a novel combustion concept that derives its superiority from the high compression ratio of a compression ignition engine as well as the properties of gasoline fuel, such as longer ignition delay and higher volatility compared to diesel. Here, this combustion concept was experimentally tested on a 12.4L Class 8 truck engine. Based on these experimental data, prior efforts by the authors focused on the development of an engine model for a heavy-duty engine operating on a low-reactivity fuel. This engine model was leveraged within this study to investigate a combustion control strategy at different engine conditions and injection methods and was augmented to incorporate cycle-to-cycle combustion variations. State estimation is performed by means of a Kalman filter which feeds into a model predictive controller. The model predictive controller chooses control actions based on a predefined cost function under consideration of bounds reflecting physical constraints. The engine model was utilized to establish a state-space model that serves the Kalman filter and model predictive controller for estimation and prediction. A comparative study investigating control actions and engine behavior was performed with and without limiting in-cylinder peak pressure as well as combustion noise, which is of particular interest for early pilot injection strategies. In addition, the proposed control architecture was investigated at two different levels of cycle-to-cycle variations and compared to the performance of a control structure with input disturbance rejection. For increased cycle-to-cycle variations, disturbance estimation reduces state fluctuations and control effort. In general, this investigation highlights control aspects specific to a compression-ignited combustion regime with low-reactivity fuel. The control algorithm is able to maintain the desired references for brake mean effective pressure and combustion phasing while controlling peak in-cylinder pressure and combustion noise.

42 ENGINEERING↗

A Preliminary Motion-picture Study of Combustion in a Compression-ignition Engine

Motion pictures were taken at 1,850 frames per second of the spray penetration and combustion occurring in the N.A.C.A. combustion apparatus arranged to operate as a compression-ignition engine. Indicator cards were taken simultaneously with the motion pictures by means of the N.A.C.A. optical indicator. The motion pictures showed that when ignition occurred during injection it started in the spray envelope. If ignition occurred after injection cut-off, however, and after considerable mixing had taken place, it was impossible to predict where the ignition would start. The pictures also showed that ignition usually started at several points in the combustion chamber. With this apparatus, as the injection advance angle increased from 0 degrees to 40 degrees before top center, the rate of flame spread increased and the duration of the burning decreased.

Buckley, E C↗

NUMERICAL INVESTIGATION OF FUEL PROPERTY EFFECTS ON MIXED-MODE COMBUSTION IN A SPARK-IGNITION ENGINE

In the present study, mixed-mode combustion of an E30 fuel in a direct-injection spark-ignition engine is numerically investigated at a fuel-lean operating condition using multidimensional computational fluid dynamics (CFD). A fuel surrogate matching Research Octane Number (RON) and Motor Octane Number (MON) of E30 is first developed using neural network based non-linear regression model. To enable efficient 3D engine simulations, a 164-species skeletal reaction mechanism incorporating NO, chemistry is reducedfrom a detailed chemical kinetic model. A hybrid approach that incorporates the G-equation model for tracking turbulentflame front, and the multi-zone well-stirred reactor model for predicting auto-ignition in the end gas, is employed to account for turbulent combustion interactions in the engine cylinder. Predicted in-cylinder pressure and heat release rate traces agree well with experimental measurements. The proposed modelling approach also captures moderated cyclic variability. Two different types of combustion cycles, corresponding to purely deflagrative and mixed-mode combustion, are observed. In contrast to the purely deflagrative cycles, mixed-mode combustion cycles feature early flame propagation followed by end-gas auto-ignition, leading to two distinctive peaks in heat release rate traces. The positive correlation between mixed-mode combustion cycles and early flame propagation is well captured by simulations. With the validated numerical setup, effects of NOx chemistry on mixed-mode combustion predictions are investigated. NOx chemistry is found to promote auto-ignition through residual gas recirculation, while the deflagrative flame propagation phase remains largely unaffected. Local sensitivity analysis is then performed to understand effects of physical and chemical properties of the fuel, i.e., heat of evaporation (HoV) and laminar flame speed (S-L). An increased HoV tends to suppress end-gas auto-ignition due to increased vaporization cooling, while the impact of HoV on flame propagation is insignificant. In contrast, an increased SL is found to significantly promote both flame propagation and auto-ignition. The promoting effect of SL 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.

detailed chemical kinetics↗

An experimental and kinetic modeling study of NO x sensitization on methane autoignition and oxidation

An experimental and kinetic modeling study of the influence of NO x (i.e. NO 2 , NO and N 2 O) addition on the ignition behavior of methane/‘air’ mixtures is performed. Ignition delay time measurements are taken in a rapid compression machine (RCM) and in a shock tube (ST) at temperatures and pressures ranging from 900–1500 K and 1.5–3.0 MPa, respectively for equivalence ratios of 0.5–2.0 in ‘air’. The conditions chosen are relevant to spark ignition and homogeneous charge compression ignition engine operating conditions where exhaust gas recirculation can potentially add NO x to the premixed charge. The RCM measurements show that the addition of 200 ppm NO 2 to the stoichiometric CH 4 /oxidizer mixture results in a factor of three increase in reactivity compared to the baseline case without NOx for temperatures in the range 600–1000 K. However, adding up to 1000 ppm N 2 O does not show any appreciable effect on the measurements. The promoting effect of NO 2 was found to increase with temperature in the range 950–1150 K, while the sensitization effect decreases at higher pressures. The experimental results measured are simulated using NUIGMech1.2 comprising an updated NO x sub-chemistry in this work. A kinetic analysis indicates that the competition between the reactions ĊH 3 + NO 2 ↔ CH 3 Ȯ + NO and ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), the former being a propagation reaction and the latter being a termination reaction governs NO x sensitization on CH 4 ignition. Recent calculations by Matsugi and Shiina (A. Matsugi, H. Shiina, J. Phys. Chem. A. 121 (2017) 4218–4224) for the nitromethane formation reaction CH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), together with the recently calculated rate constants for HONO/HNO 2 reactions significantly improve ignition delay time predictions in the temperature range 600–1000 K. Furthermore, the experiments with NO addition reveal a non-monotonous sensitization impact on CH 4 ignition at lower temperatures with NO initially acting as an inhibitor at low NO concentrations and then as a promoter as NO concentrations increase in the mixture. This non-monotonous trend is attributed to the role of the chain-termination reaction ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M) and the impact of NO on the transition to the chain-branching steps CH 2 O + HȮ 2 ↔ HĊO + H 2 O 2 , H 2 O 2 (+M) ↔ ȮH + ȮH (+M), HĊO ↔ CO + Ḣ followed by CO + O 2 ↔ CO 2 + Ö and Ḣ + O 2 ↔ Ö + ȮH. NUIGMech1.2 is systematically validated against the new ignition delay measurements taken here together with species measurements and high temperature ignition delay time data available in the literature for CH 4 /oxidizer mixtures diluted with NO 2 /N 2 O/NO and is observed to accurately capture the sensitization trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hierarchically Informed Engineering Models for Predictive Modeling of Turbulent Premixed Flame Propagation in Pre- chamber Turbulent Jet Ignition

The goal of the project is to improve the predictive accuracy and efficiency of turbulent combustion sub-models for pre-chamber turbulent jet ignition (TJI). This goal is achieved through the development of a hierarchically informed engineering model for turbulent combustion in TJI. The model development starts with the highest level of model description of turbulent combustion with direct numerical simulation (DNS) from which fundamental characteristics and scaling properties of turbulent premixed flame propagation under TJI relevant conditions are obtained.

42 ENGINEERING↗