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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Simulating combustion of a seven-component surrogate for a gasoline/ethanol blend including soot formation and comparison with experiments

Combustion of a seven-component surrogate for a research grade 87 octane gasoline mixed with 10% ethanol is investigated experimentally and numerically from the perspective of an isolated droplet burning under conditions that promote one-dimensional gas transport. The numerical analysis included a kinetic mechanism comprised of 398 species and 24,814 reactions and a soot model that accounted for nucleation, surface growth, coalescence/aggregation of soot particles, and luminous flame radiation. Measurements of droplet and flame diameters were made for an initial droplet diameter (D o ) of approximately 0.63 mm. The simulations agreed well with the measurements including the location of the soot shell. Preferential vaporization was revealed by simulations of the liquid concentrations in the droplet. Predicted peak soot volume fractions coincided with temperatures between 1300 K and 1400 K as a soot inception temperature. Simulations were also carried out for D o between 0.25 mm and 5 mm to explore the effect of radiation and D o on burning. Below 0.25 mm radiation was negligible and burning rates and flame temperatures converged to a single value. Increasing D o up to 1.8 mm lowered the burning rate with luminous radiation having a strong effect. When radiation was entirely removed from the model the burning rate was nearly constant. Above D o = 2 mm droplets extinguished almost immediately after ignition. The flame temperature decreased with increasing D o while it increased when radiation was omitted. As a result, the simulations show that soot precursors including polyaromatic hydrocarbons were concentrated around the soot shell.

42 ENGINEERING↗
NASA NTRS1993

The validation and application of numerical modelling to supersonic mixing and reacting flows

This study demonstrates that the computational fluid dynamics (CFD) code GASP can be used to predict the features for flowfields representative of scramjet combustors. The validation program undertaken was composed of two parts: a low enthalpy mixing study and a simplified autoignition study. The low enthalpy mixing study was done using low angle helium injection into a Mach 6 airstream over a flat plate. Both matched and overpressurized injection cases were numerically modelled. The agreement with experimental data for the farfield bulk mixing in both cases was reasonable. The combustion studies modelled premixed hydrogen-air reaction with the results being evaluated qualitatively. GASP proved to be highly sensitive to the chemical species present for flow near the ignition temperature, but provided reasonable qualitative results for a subsonic flameholder model.

Vitt, Paul H.↗
NASA NTRS2021

Effect of High Temperature Storage on AC Characteristics of Polymer Tantalum Capacitors

Replacement of MnO2 with conductive polymers as cathode materials in chip tantalum capacitors allows for a substantial reduction of the equivalent series resistance (ESR), improvement of frequency characteristics, and elimination of the possibility of ignition during failures. One of the drawbacks of chip polymer tantalum capacitors (CPTCs) is a relatively poor long-term stability at high temperatures. In this work, variations of capacitance, dissipation factor, and ESR in different types of capacitors including automotive grade parts from three manufacturers have been monitored during storage at temperatures from 100 ºC to 175 ºC for up to 18,000 hours. Results show that ESR is the most and capacitance the least sensitive to degradation parameter. Times to parametric failures have been simulated using a Weibull-Arrhenius model that allowed for assessments of activation energies of the degradation and prediction of times to failure at the use temperature. Degradation of CPTCs was explained by thermo-oxidative processes in conductive polymers that result in exponential increasing of the resistivity with time of ageing. This process starts after a certain incubation period that depends on packaging materials and design and corresponds to the time that is necessary to form delamination between the encapsulating molding compound and lead frame. The effectiveness of the existing qualification procedures to assure stable operation of CPTCs is discussed.

Alexander A Teverovsky↗
NASA NTRSDate not supplied

Effect of High Temperature Storage on AC Characteristics of Polymer Tantalum Capacitors

Replacement of MnO2 with conductive polymers as cathode materials in chip tantalum capacitors allows for a substantial reduction of the equivalent series resistance (ESR), improvement of frequency characteristics, and elimination of the possibility of ignition during failures. One of the drawbacks of chip polymer tantalum capacitors (CPTCs) is a relatively poor long-term stability at high temperatures. In this work, variations of capacitance, dissipation factor, and ESR in different types of capacitors including automotive grade parts from three manufacturers have been monitored during storage at temperatures from 100 ºC to 175 ºC for up to 18,000 hours. Results show that ESR is the most and capacitance the least sensitive to degradation parameter. Times to parametric failures have been simulated using a Weibull-Arrhenius model that allowed for assessments of activation energies of the degradation and prediction of times to failure at the use temperature. Degradation of CPTCs was explained by thermo-oxidative processes in conductive polymers that result in exponential increasing of the resistivity with time of ageing. This process starts after a certain incubation period that depends on packaging materials and design and corresponds to the time that is necessary to form delamination between the encapsulating molding compound and lead frame. The effectiveness of the existing qualification procedures to assure stable operation of CPTCs is discussed.

Aging↗
NASA NTRSDate not supplied

Effect of High Temperature Storage on AC Characteristics of Polymer Tantalum Capacitors

Replacement of MnO2 with conductive polymers as cathode materials in chip tantalum capacitors allows for a substantial reduction of the equivalent series resistance (ESR), improvement of frequency characteristics, and elimination of the possibility of ignition during failures. One of the drawbacks of chip polymer tantalum capacitors (CPTCs) is a relatively poor long-term stability at high temperatures. In this work, variations of capacitance, dissipation factor, and ESR in different types of capacitors including automotive grade parts from three manufacturers have been monitored during storage at temperatures from 100 ºC to 175 ºC for up to 18,000 hours. Results show that ESR is the most and capacitance the least sensitive to degradation parameter. Times to parametric failures have been simulated using a Weibull-Arrhenius model that allowed for assessments of activation energies of the degradation and prediction of times to failure at the use temperature. Degradation of CPTCs was explained by thermo-oxidative processes in conductive polymers that result in exponential increasing of the resistivity with time of ageing. This process starts after a certain incubation period that depends on packaging materials and design and corresponds to the time that is necessary to form delamination between the encapsulating molding compound and lead frame. The effectiveness of the existing qualification procedures to assure stable operation of CPTCs is discussed.

Aging↗
NASA NTRS2021

Effect of High Temperature Storage on AC Characteristics of Polymer Tantalum Capacitors

Replacement of MnO2 with conductive polymers as cathode materials in chip tantalum capacitors allows for a substantial reduction of the equivalent series resistance (ESR), improvement of frequency characteristics, and elimination of the possibility of ignition during failures. One of the drawbacks of chip polymer tantalum capacitors (CPTCs) is a relatively poor long-term stability at high temperatures. In this work, variations of capacitance, dissipation factor, and ESR in different types of capacitors including automotive grade parts from three manufacturers have been monitored during storage at temperatures from 100 ºC to 175 ºC for up to 18,000 hours. Results show that ESR is the most and capacitance the least sensitive parameter to degradation. Times to parametric failures have been simulated using a Weibull-Arrhenius model that allowed for assessments of activation energies of the degradation and prediction of times to failure at the use temperature. Degradation of CPTCs was explained by thermo-oxidative processes in conductive polymers that result in exponential increase of the resistivity with time of aging. This process starts after a certain incubation period that depends on packaging materials and design and corresponds to the time that is necessary to form delamination between the encapsulating molding compound and lead frame. The effectiveness of the existing qualification procedures to assure stable operation of CPTCs is discussed.

high temperature storage (HTS)↗
DOE OSTI2022

Challenges in Kinetic modeling of ammonia pyrolysis

Ammonia pyrolysis reactions have implications for its ignition and oxidation in engines and gas turbines. In the present work, the chemistry of ammonia pyrolysis is investigated by kinetic modeling and theory. Rate constants for key reactions are carefully evaluated based on available experimental and theoretical results. The high pressure limit k1,∞ for NH 2 + H (+M) ⇄ NH 3 (+M) (R1) is calculated to be essentially the collision frequency, indicating that dissociation of ammonia in combustion processes will be at or close to the low pressure limit even at engine and gas turbine conditions. The chemical kinetic model is validated against reported shock tube measurements of NH 3 , NH 2 , and NH in ammonia pyrolysis. Predictions are in good agreement with observations for dilute conditions (≤ 0.5% NH 3 ), but the model appears to underpredict the NH 3 consumption rate at longer times in less dilute mixtures. At short reaction times, thermal dissociation of NH3, together with the NH 3 + H reaction, controls conversion. At longer times, secondary reactions involving NH 2 and NH become important due to their impact on the radical pool. Predictions become sensitive to formation and consumption of diazene (tHNNH and cHNNH). Several of the key steps in the ammonia pyrolysis mechanism are radical-radical reactions that are difficult to measure accurately and challenging to calculate theoretically, and a more comprehensive experimental characterization is desirable to support further model development.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Experiments and numerical modeling of surrogate droplet combustion for a 93 octane gasoline calibration fuel

Gasoline is the world’s most prolific liquid transportation fuel for ground transportation vehicles. Yet, a fundamental understanding of its burning characteristics is still lacking. Complicating this matter is the highly multicomponent nature of gasoline (comprised of hundreds of chemical species) and the seasonable variability of its composition due to variations in the crude oil feedstocks used in refining. The need to bring order to this complex problem has led to development of calibration fuels (Tier II in presented study) which on average will provide repeatable metrics that replicate performance of refined gasoline for various engine designs. This study presents results of experiments using the configuration of an isolated droplet to study the combustion dynamics of calibration fuel and three different surrogates (S4, S5, S6) for the calibration fuel. Droplet burning is under microgravity conditions, where gas transport is determined entirely by fuel evaporation in order to promote spherical symmetry in the burning process. The initial droplet diameters ranged between 0.55 mm and 0.60 mm. The droplets were spark-ignited and their burning histories were recorded by digital video cameras to obtain quantitative data. For each fuel, the evolutions of droplet, flame, and soot-shell diameters were measured to calculate the burn rates, flame-droplet diameter ratios (FSR) and soot-droplet diameter ratios. Additionally, a detailed numerical modeling is presented. This simulation includes multicomponent phase equilibrium, unsteady gas and liquid transport, radiative heat transfer, internal liquid diffusion and detailed combustion chemistry of different fuels during their burning process. Experiment results show that the calibration fuel and surrogates have a close burn rates and FSR, and S5 presents a relatively similar results with calibration fuel. Predictions from the numerical simulation using the surrogate are compared with experiment measurements, which showed a good agreement with the experiment results, including the droplet burning rate and FSR.

Guo, Songtao↗
DOE OSTI2022

An experimental and modeling study on autoignition of 2-phenylethanol and its blends with n-heptane

2-Phenylethanol (2-PE) is an aromatic alcohol with high research octane number, high octane sensitivity, and a potential to be produced using biomass. Considering that 2-PE can be used as a fuel additive for boosting the anti-knocking quality of gasoline in spark-ignition engines and as the low reactivity fuel or fuel component in dual-fuel reactivity controlled compression ignition (RCCI) engines, it is of fundamental and practical interest to understand the autoignition chemistry of 2-PE, especially at low-to-intermediate temperatures (<1000 K). Based upon the experimental ignition delay time (IDT) results of neat 2-PE obtained from our previous rapid compression machine (RCM) investigation and the literature shock tube study, a detailed chemical kinetic model of 2-PE is developed herein, covering low-to-high temperature regimes. Besides, RCM experiments using binary fuel blends of 2-PE and n-heptane (nC7) are conducted in this work to investigate the nC7/2-PE blending effects, as they represent a dual-fuel system for RCCI operations. Furthermore, the newly developed 2-PE model is merged with a well-validated nC7 kinetic model to generate the current nC7/2-PE binary blend model. Overall, the consolidated model reasonably predicts the experimental IDT data of neat 2-PE and nC7/2-PE blends, as well as captures the experimental effects of pressure, equivalence ratio, and blending ratio on autoignition. Finally, model-based chemical kinetic analyses are carried out to understand and identify the controlling chemistry accounting for the observed blending effects in RCM experiments. In conclusion, the analyses reveal that nC7 enhances 2-PE autoignition via providing extra $\dot{O}$H radicals to the shared radical pool, while the diminished nC7 promoting effect on 2-PE autoignition with increasing temperature is due to the negative temperature coefficient characteristics of nC7.

2-phenlyethanol↗
NASA NTRS1997

The Effects of Sooting and Radiation on Droplet Combustion

The burning of liquid hydrocarbon fuels accounts for a significant portion of global energy production. With predicted future increases in demand and limited reserves of hydrocarbon fuel, it is important to maximize the efficiency of all processes that involve conversion of fuel. With the exception of unwanted fires, most applications involve introduction of liquid fuels into an oxidizing environment in the form of sprays which are comprised of groups of individual droplets. Therefore, tremendous benefits can result from a better understanding of spray combustion processes. Yet, theoretical developments and experimental measurements of spray combustion remains a daunting task due to the complex coupling of a turbulent, two-phase flow with phase change and chemical reactions. However, it is recognized that individual droplet behavior (including ignition, evaporation and combustion) is a necessary component for laying the foundation for a better understanding of spray processes. Droplet combustion is also an ideal problem for gaining a better understanding of non-premixed flames. Under the idealized situation producing spherically-symmetric flames (produced under conditions of reduced natural and forced convection), it represents the simplest geometry in which to formulate and solve the governing equations of mass, species and heat transfer for a chemically reacting two phase flow with phase change. The importance of this topic has promoted extensive theoretical investigations for more than 40 years.

Lee, Kyeong-Ook↗
DOE OSTI2021

Comparison of ablators for the polar direct drive exploding pusher platform

In this work, we examine the performance of pure boron, boron carbide, high density carbon, and boron nitride ablators in the polar direct drive exploding pusher (PDXP) platform. The platform uses the polar direct drive configuration at the National Ignition Facility to drive high ion temperatures in a room temperature capsule and has potential applications for plasma physics studies and as a neutron source. The higher tensile strength of these materials compared to plastic enables a thinner ablator to support higher gas pressures, which could help optimize its performance for plasma physics experiments, while ablators containing boron enable the possibility of collecting additional data to constrain models of the platform. Applying recently developed and experimentally validated equation of state models for the boron materials, we examine the performance of these materials as ablators in 2D simulations, with particular focus on changes to the ablator and gas areal density, as well as the predicted symmetry of the inherently 2D implosion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Comparison of ablators for the polar direct drive exploding pusher platform

We examine the performance of pure boron, boron carbide, high density carbon, and boron nitride ablators in the polar direct drive exploding pusher (PDXP) platform. The platform uses the polar direct drive conguration at the National Ignition Facility to drive high ion temperatures in a room temperature capsule and has potential applications for plasma physics studies and as a neutron source. The higher tensile strength of these materials compared to plastic enables a thinner ablator to support higher gas pressures, which could help optimize its performance for plasma physics experiments, while ablators containing boron enable the possiblity of collecting addtional data to constrain models of the platform. Applying recently developed and experimentally validated equation of state models for the boron materials, we examine the performance of these materials as ablators in 2D simulations, with particular focus on changes to the ablator and gas areal density, as well as the predicted symmetry of the inherently 2D implosion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1998

CFD Modelling of Bore Erosion in Two-Stage Light Gas Guns

A well-validated quasi-one-dimensional computational fluid dynamics (CFD) code for the analysis of the internal ballistics of two-stage light gas guns is modified to explicitly calculate the ablation of steel from the gun bore and the incorporation of the ablated wall material into the hydrogen working cas. The modified code is used to model 45 shots made with the NASA Ames 0.5 inch light gas gun over an extremely wide variety of gun operating conditions. Good agreement is found between the experimental and theoretical piston velocities (maximum errors of +/-2% to +/-6%) and maximum powder pressures (maximum errors of +/-10% with good igniters). Overall, the agreement between the experimental and numerically calculated gun erosion values (within a factor of 2) was judged to be reasonably good, considering the complexity of the processes modelled. Experimental muzzle velocities agree very well (maximum errors of 0.5-0.7 km/sec) with theoretical muzzle velocities calculated with loading of the hydrogen gas with the ablated barrel wall material. Comparison of results for pump tube volumes of 100%, 60% and 40% of an initial benchmark value show that, at the higher muzzle velocities, operation at 40% pump tube volume produces much lower hydrogen loading and gun erosion and substantially lower maximum pressures in the gun. Large muzzle velocity gains (2.4-5.4 km/sec) are predicted upon driving the gun harder (that is, upon using, higher powder loads and/or lower hydrogen fill pressures) when hydrogen loading is neglected; much smaller muzzle velocity gains (1.1-2.2 km/sec) are predicted when hydrogen loading is taken into account. These smaller predicted velocity gains agree well with those achieved in practice. CFD snapshots of the hydrogen mass fraction, density and pressure of the in-bore medium are presented for a very erosive shot.

Bogdanoff, D. W.↗
NASA NTRS1997

Quantitative Measurement of Oxygen in Microgravity Combustion

A low-gravity environment, in space or in ground-based facilities such as drop towers, provides a unique setting for studying combustion mechanisms. Understanding the physical phenomena controlling the ignition and spread of flames in microgravity has importance for space safety as well as for better characterization of dynamical and chemical combustion processes which are normally masked by buoyancy and other gravity-related effects. Due to restrictions associated with performing measurements in reduced gravity, diagnostic methods which have been applied to microgravity combustion studies have generally been limited to capture of flame emissions on film or video, laser Schlieren imaging and (intrusive) temperature measurements using thermocouples. Given the development of detailed theoretical models, more sophisticated diagnostic methods are needed to provide the kind of quantitative data necessary to characterize the properties of microgravity combustion processes as well as provide accurate feedback to improve the predictive capabilities of the models. When the demands of space flight are considered, the need for improved diagnostic systems which are rugged, compact, reliable, and operate at low power becomes apparent. The objective of this research is twofold. First, we want to develop a better understanding of the relative roles of diffusion and reaction of oxygen in microgravity combustion. As the primary oxidizer species, oxygen plays a major role in controlling the observed properties of flames, including flame front speed (in solid or liquid flames), extinguishment characteristics, flame size and flame temperature. The second objective is to develop better diagnostics based on diode laser absorption which can be of real value in both microgravity combustion research and as a sensor on-board Spacelab as either an air quality monitor or as part of a fire detection system. In our prior microgravity work, an eight line-of-sight fiber optic system measured water vapor mole fractions in the NASA Lewis 2.2-sec Drop Tower. In that system, the laser and all electronics resided at the top of the drop tower and was connected via a fiber optic cable to the rig, on which a 'pitch and catch' set of fiber collimating lenses were used to transmit the laser beam across a jet diffusion flame. This system required eight independent detection/demodulation units and had poor spatial resolution. This research builds on this earlier work, resulting in an improved capability for quantitative, nonintrusive measurement of major combustion species. A vertical cavity surface-emitting diode laser (VCSEL) and a continuous spatial scanning method permit the measurement of temporal and spatial profiles of the concentrations and temperatures of molecular oxygen. High detection sensitivity is achieved with wavelength modulation spectroscopy (WMS). One-g experiments are performed using a slot diffusion flame. Microgravity measurements on a solid fuel (cellulose sheet) system are planned for the NASA Lewis 2.2-second Drop Tower Facility.

Silver, Joel A.↗
NASA NTRS2013

Propellant-Flow-Actuated Rocket Engine Igniter

A rocket engine igniter has been created that uses a pneumatically driven hammer that, by specialized geometry, is induced into an oscillatory state that can be used to either repeatedly impact a piezoelectric crystal with sufficient force to generate a spark capable of initiating combustion, or can be used with any other system capable of generating a spark from direct oscillatory motion. This innovation uses the energy of flowing gaseous propellant, which by means of pressure differentials and kinetic motion, causes a hammer object to oscillate. The concept works by mass flows being induced through orifices on both sides of a cylindrical tube with one or more vent paths. As the mass flow enters the chamber, the pressure differential is caused because the hammer object is supplied with flow on one side and the other side is opened with access to the vent path. The object then crosses the vent opening and begins to slow because the pressure differential across the ball reverses due to the geometry in the tube. Eventually, the object stops because of the increasing pressure differential on the object until all of the kinetic energy has been transferred to the gas via compression. This is the point where the object reverses direction because of the pressure differential. This behavior excites a piezoelectric crystal via direct impact from the hammer object. The hammer strikes a piezoelectric crystal, then reverses direction, and the resultant high voltage created from the crystal is transferred via an electrode to a spark gap in the ignition zone, thereby providing a spark to ignite the engine. Magnets, or other retention methods, might be employed to favorably position the hammer object prior to start, but are not necessary to maintain the oscillatory behavior. Various manifestations of the igniter have been developed and tested to improve device efficiency, and some improved designs are capable of operation at gas flow rates of a fraction of a gram per second (0.001 lb/s) and pressure drops on the order of 30 to 50 kilopascal (a few psi). An analytical model has been created and tested in conjunction with a precisely calibrated reference model. The analytical model accurately captures the overall behavior of this innovation. The model is a simple "volume-orifice" concept, with each chamber considered a single temperature and pressure "node" connected to adjacent nodes, or to vent paths through flow control orifices. Mass and energy balances are applied to each node, with gas flow predicted using simple compressible flow equations.

Wollen, Mark↗
DOE OSTI2021

MACHINE LEARNING BASED CHEMICAL EXPLOSIVE MODE ANALYSIS (ML-CEMA)

The software consists of a Machine Learning based Chemical Explosive Mode Analysis (ML-CEMA) tool for advanced computational flame diagnostics. CEMA, originally based on eigen-analysis of the local thermochemical system, is capable of identifying reaction fronts and limit phenomena such as auto-ignition and extinction in practical combustion systems, such as internal combustion engines and gas turbine combustors. However, the original CEMA is computationally expensive for large reaction mechanisms that are typically needed to describe fuel chemistry of practical large-hydrocarbon fuels. This novel ML-CEMA tool employs a ML technique to accelerate the eigen-analysis of the basic CEMA approach by orders of magnitude, thus making it suitable for practical fuels. In ML-CEMA,zero-dimensional (0D) reactors and one-dimensional (1D) premixed flames are first used to generate a large number of data points for neural network based ML training. The trained ML model is then used to perform CEMA prediction. This ML-CEMA tool has been demonstrated in canonical 0D and 1D configurations as well as highly-transient three-dimensional spray flames exhibiting multi-mode turbulent combustion, showing promising results. ML-CEMA, as a standalone tool, can be used for computationally-efficient diagnostics of massive datasets generated from both experiments and simulations. For example, based on spatially resolved measurements of a small set of reactive scalars(such as temperature, hydroxyl radical and formaldehyde), ML-CEMA can effectively identify flame fronts and rare events. ML-CEMA also provides a robust online or offline flame feature detection tool. When used for on-the-fly simulations, ML-CEMA further enables zone-adaptive combustion modeling, in which the predicted eigenvalue is used as a robust mode indicator for judicious assignment of locally-valid combustion models. This ML-CEMA based zone-adaptive model can lead to substantial computational cost savings when used for large-scale simulations of multi-mode combustion systems. Third Party Code Web Page to Download Code Web Page Location of Third Party License

Xu, Chao↗
NASA NTRS1988

Evaluation and Improvement of Liquid Propellant Rocket Chugging Analysis Techniques. Part 2: a Study of Low Frequency Combustion Instability in Rocket Engine Preburners Using a Heterogeneous Stirred Tank Reactor Model

During the shutdown of the space shuttle main engine, oxygen flow is shut off from the fuel preburner and helium is used to push the residual oxygen into the combustion chamber. During this process a low frequency combustion instability, or chug, occurs. This chug has resulted in damage to the engine's augmented spark igniter due to backflow of the contents of the preburner combustion chamber into the oxidizer feed system. To determine possible causes and fixes for the chug, the fuel preburner was modeled as a heterogeneous stirred tank combustion chamber, a variable mass flow rate oxidizer feed system, a constant mass flow rate fuel feed system and an exit turbine. Within the combustion chamber gases were assumed perfectly mixed. To account for liquid in the combustion chamber, a uniform droplet distribution was assumed to exist in the chamber, with mean droplet diameter determined from an empirical relation. A computer program was written to integrate the resulting differential equations. Because chamber contents were assumed perfectly mixed, the fuel preburner model erroneously predicted that combustion would not take place during shutdown. The combustion rate model was modified to assume that all liquid oxygen that vaporized instantaneously combusted with fuel. Using this combustion model, the effect of engine parameters on chamber pressure oscillations during the SSME shutdown was calculated.

Bartrand, Timothy A.↗
DOE OSTI2022

Combustion characteristics and detailed simulations of surrogates for a Tier II gasoline certification fuel

An experimental and numerical study of combustion of a gasoline certification fuel (‘indolene’), and four (S4) and five (S5) component surrogates for it, is reported for the configurations of an isolated droplet burning with near spherical symmetry in the standard atmosphere, and a single cylinder engine designed for advanced compression ignition of pre-vaporized fuel. The intent was to compare performance of the surrogate for these different combustion configurations and to assess the broader applicability of the kinetic mechanism and property database for the simulations. A kinetic mechanism comprised of 297 species and 16797 reactions was used in the simulations that included soot chemistry and accounted for unsteady transport, liquid diffusion inside the droplet, radiative heat transfer, and variable properties. The droplet data showed a clear preference for the S5 surrogate in terms of burning rate. The simulations showed generally very good agreement with measured droplet, flame, and soot shell diameters. Measurements of combustion timing, in-cylinder pressure, and mass-averaged gas temperature were also well predicted with a slight preference for the S5 surrogate. Preferential vaporization was not evidenced from the evolution of droplet diameter but was clearly revealed in simulations of the evolution of mixture fractions inside the droplets. The influence of initial droplet diameter (Do) on droplet burning was strong, with S5 burning rates decreasing with increasing Do due to increasing radiation losses from the flame. Flame extinction was predicted for Do =3.0 mm as a radiative loss mechanism but not predicted for smaller Do for the conditions of the simulations.

Guo, Songtao↗