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Technical Paper

An optimized, data-driven reaction mechanism for Dual-Fuel combustion of Ammonia and Diesel Primary Reference Fuels

2023-09-29
2023-32-0101
The possibility to operate current diesel engines in dual-fuel mode with the addition of an alternative fuel is fundamental to accelerate the energy transition to achieve carbon neutrality. The simulation of the dual- fuel combustion process with 0D/1D combustion models is fundamental for the performance prediction, but still particularly challenging, due to chemical interactions of the mixture. The authors defined a novel data-driven workflow for the development of combustion reaction mechanisms and used it to generate a dual-fuel mechanism for Ammonia and Diesel Primary Reference Fuels (DPRF) suitable for efficient combustion simulations in heavy duty engines, with variable cetane number Diesel fuels. A baseline reaction mechanism was created by merging the detailed ammonia mechanism by Glarborg et al. with reaction pathways for n- hexadecane and 2,2,4,4,6,8,8-heptamethylnonane from a well-established multi-component fuel mechanism.
Technical Paper

A Dual-Fuel Model of Flame Initiation and Propagation for Modelling Heavy-Duty Engines with the G-Equation

2023-09-29
2023-32-0009
We propose a novel dual-fuel combustion model for simulating heavy-duty engines with the G-Equation. Dual-Fuel combustion strategies in such engines features direct injection of a high-reactivity fuel into a lean, premixed chamber which has a high resistance to autoignition. Distinct combustion modes are present: the DI fuel auto-ignites following chemical ignition delay after spray vaporization and mixing; a reactive front is formed on its surroundings; it develops into a well-structured turbulent flame, which propagates within the premixed charge. Either direct chemistry or the flame-propagation approach (G- Equation), taken alone, do not produce accurate results. The proposed Dual-Fuel model decides what regions of the combustion chamber should be simulated with either approach, according to the local flame state; and acts as a “kernel” model for the G- Equation model. Direct chemistry is run in the regions where a premixed front is not present.
Technical Paper

Understanding Fuel Stratification Effects on Partially Premixed Compression Ignition (PPCI) Combustion and Emissions Behaviors

2019-04-02
2019-01-1145
Fuel stratification effects on the combustion and emissions behaviors for partially premixed compression ignition (PPCI) combustion of a high reactivity gasoline (research octane number of 80) was investigated using the third generation Gasoline Direct-Injection Compression Ignition (Gen3 GDCI) multi-cylinder engine. The PPCI combustion mode was achieved through a double injection strategy. The extent of in-cylinder fuel stratification was tailored by varying the start of second fuel injection timing (SOIsecond) while the first fuel injection event was held constant and occurred during the intake stroke. Based on the experimental results, three combustion characteristic zones were identified in terms of the SOIsecond - CA50 (crank angle at 50% cumulative heat release) relationship: (I) no response zone (HCCI-like combustion); (II) negative CA50 slope zone: (early PPCI mode); and (III) positive CA50 slope zone (late PPCI mode).
Journal Article

Analytical Examination of the Relationship between Fuel Properties, Engine Efficiency, and R Factor Values

2019-04-02
2019-01-0309
The variability in gasoline energy content, though most frequently not a consumer concern, is an issue of concern for vehicle manufacturers in demonstrating compliance with regulatory requirements. Advancements in both vehicle technology, test methodology, and fuel formulations have increased the level of visibility and concern with regard to the energy content of fuels used for regulatory testing. The R factor was introduced into fuel economy calculations for vehicle certification in the late 1980s as a means of addressing batch-to-batch variations in the heating value of certification fuels and the resulting variations in fuel economy results. Although previous studies have investigated values of the R factor for modern vehicles through experimentation, subsequent engine studies have made clear that it is difficult to distinguish between the confounding factors that influence engine efficiency when R is being studied experimentally.
Journal Article

Estimation of the Fuel Efficiency Potential of Six Gasoline Blendstocks Identified by the U.S. Department of Energy’s Co-Optimization of Fuels and Engines Program

2019-01-15
2019-01-0017
Six blendstocks identified by the Co-Optimization of Fuels & Engines Program were used to prepare fuel blends using a fixed blendstock for oxygenate blending and a target RON of 97. The blendstocks included ethanol, n-propanol, isopropanol, isobutanol, diisobutylene, and a bioreformate surrogate. The blends were analyzed and used to establish interaction factors for a non-linear molar blending model that was used to predict RON and MON of volumetric blends of the blendstocks up to 35 vol%. Projections of efficiency increase, volumetric fuel economy increase, and tailpipe CO2 emissions decrease were produced using two different estimation techniques to evaluate the potential benefits of the blendstocks. Ethanol was projected to provide the greatest benefits in efficiency and tailpipe CO2 emissions, but at intermediate levels of volumetric fuel economy increase over a smaller range of blends than other blendstocks.
Journal Article

Investigation of Fuel Effects on Combustion Characteristics of Partially Premixed Compression Ignition (PPCI) Combustion Mode at Part-Load Operations

2018-04-03
2018-01-0897
Fuel effects on combustion characteristics, including combustion robustness/stability, for partially premixed compression ignition (PPCI) combustion was investigated using Delphi’s second-generation gasoline direct-injection compression ignition (Gen2 GDCI) multi-cylinder engine. Three high-reactivity RON 80 gasoline fuels were evaluated in this study. First, the effect of octane sensitivity (RON-MON) was investigated by comparing two non-oxygenated gasolines with octane sensitivities of 2.4 and 5.1. The octane sensitivity difference of the two fuels arose from different hydrocarbon compositions. Second, the effect of octane sensitivity origin was evaluated with two fuels having the same octane sensitivity of 2.4-one fuel was non-oxygenated, while the other one contains ethanol. The engine performance and emissions comparison was focused on part-load operations (1500 rpm, 6 bar IMEP and 800 rpm, 2 bar IMEP) that implemented PPCI low temperature combustion.
Journal Article

A Comprehensive Evaluation of Diesel Engine CFD Modeling Predictions Using a Semi-Empirical Soot Model over a Broad Range of Combustion Systems

2018-04-03
2018-01-0242
Single-cylinder engine experiments and computational fluid dynamics (CFD) modeling were used in this study to conduct a comprehensive evaluation of the accuracy of the modeling approach, with a focus on soot emissions. A semi-empirical soot model, the classic two-step Hiroyasu model with Nagle and Strickland-Constable oxidation, was used. A broad range of direct-injected (DI) combustion systems were investigated to assess the predictive accuracy of the soot model as a design tool for modern DI diesel engines. Experiments were conducted on a 2.5 liter single-cylinder engine. Combustion system combinations included three unique piston bowl shapes and seven variants of a common rail fuel injector. The pistons included a baseline “Mexican hat” piston, a reentrant piston, and a non-axisymmetric piston similar to the Volvo WAVE design. The injectors featured six or seven holes and systematically varied included angles from 120 to 150 degrees and hole sizes from 170 to 273 μm.
Technical Paper

Modeling the Dynamic Coupling of Internal Nozzle Flow and Spray Formation for Gasoline Direct Injection Applications

2018-04-03
2018-01-0314
A numerical study has been carried out to assess the effects of needle movement and internal nozzle flow on spray formation for a multi-hole Gasoline Direct Injection system. The coupling of nozzle flow and spray formation is dynamic in nature and simulations with pragmatic choice of spatial and temporal resolutions are needed to analyze the sprays in a GDI system. The dynamic coupling of nozzle flow and spray formation will be performed using an Eulerian-Lagrangian Spray Atomization (ELSA) approach. In this approach, the liquid fuel will remain in the Eulerian framework while exiting the nozzle, while, depending on local instantaneous liquid concentration in a given cell and amount of liquid in the neighboring cells, part of the liquid mass will be transferred to the Lagrangian framework in the form of Lagrangian parcels.
Journal Article

CFD-Guided Heavy Duty Mixing-Controlled Combustion System Optimization with a Gasoline-Like Fuel

2017-03-28
2017-01-0550
A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty compression-ignition engine with a gasoline-like fuel that has an anti-knock index (AKI) of 58. The primary goal was to design an optimized combustion system utilizing the high volatility and low sooting tendency of the fuel for improved fuel efficiency with minimal hardware modifications to the engine. The CFD model predictions were first validated against experimental results generated using the stock engine hardware. A comprehensive design of experiments (DoE) study was performed at different operating conditions on a world-leading supercomputer, MIRA at Argonne National Laboratory, to accelerate the development of an optimized fuel-efficiency focused design while maintaining the engine-out NOx and soot emissions levels of the baseline production engine.
Journal Article

Characterization of Hydrocarbon Emissions from Gasoline Direct-Injection Compression Ignition Engine Operating on a Higher Reactivity Gasoline Fuel

2017-03-28
2017-01-0747
Low temperature combustion engine technologies are being investigated for high efficiency and low emissions. However, such engine technologies often produce higher engine-out hydrocarbon (HC) and carbon monoxide (CO) emissions, and their operating range is limited by the fuel properties. In this study, two different fuels, a US market gasoline containing 10% ethanol (RON 92 E10) and a higher reactivity gasoline (RON 80 E0), were compared on Delphi’s second generation Gasoline Direct-Injection Compression Ignition (Gen 2.0 GDCI) multi-cylinder engine. The engine was evaluated at three operating points ranging from a light load condition (800 rpm/2 bar IMEPg) to medium load conditions (1500 rpm/6 bar and 2000 rpm/10 bar IMEPg). The engine was equipped with two oxidation catalysts, between which was located the exhaust gas recirculation (EGR) inlet. Samples were taken at engine-out, between the catalysts, and at tailpipe locations.
Technical Paper

Advanced Methodology to Investigate Knock for Downsized Gasoline Direct Injection Engine Using 3D RANS Simulations

2017-03-28
2017-01-0579
Nowadays Spark Ignition (SI) engine developments focus on downsizing, in order to increase the engine load level and consequently its efficiency. As a side effect, knock occurrence is strongly increased. The current strategy to avoid knock is to reduce the spark advance which limits the potential of downsizing in terms of consumption reduction. Reducing the engine propensity to knock is therefore a first order subject for car manufacturers. Engineers need competitive tools to tackle such a complex phenomenon. In this paper the 3D RANS simulations ability to satisfactorily represent knock tendencies is demonstrated. ECFM (Extended Coherent Flame Model) has been recently implemented by IFPEN in CONVERGE and coupled with TKI (Tabulated Kinetics Ignition) to represent Auto-Ignition in SI engine. These models have been applied on a single cylinder engine configuration dedicated to abnormal combustion study.
Technical Paper

CFD-Guided Combustion Strategy Development for a Higher Reactivity Gasoline in a Light-Duty Gasoline Compression Ignition Engine

2017-03-28
2017-01-0740
The current study utilized 3-D computational fluid dynamics (CFD) combustion analysis to guide the development of a viable full load range combustion strategy in a light-duty gasoline compression ignition (GCI) engine. A higher reactivity gasoline that has a research octane number (RON) of 70 was used for the combustion strategy development. The engine has a geometric compression ratio of 14.5 with a piston bowl designed to accommodate different combustion strategies and injector spray patterns. Detailed combustion optimization was focused on 6 and 18 bar gross indicated mean effective pressure (IMEPg) at 1500 rpm through a Design of Experiments approach. Two different strategies were investigated: (a) a late triggering fuel injection with a wide spray angle (combustion strategy #1); and (b) an early triggering fuel injection with a narrow spray angle (combustion strategy #2).
Technical Paper

Coupled Fluid-Solid Simulation for the Prediction of Gas-Exposed Surface Temperature Distribution in a SI Engine

2017-03-28
2017-01-0669
The current trend of downsizing used in gasoline engines, while reducing fuel consumption and CO2 emissions, imposes severe thermal loads inside the combustion chamber. These critical thermodynamic conditions lead to the possible auto-ignition (AI) of fresh gases hot-spots around Top-Dead-Center (TDC). At this very moment where the surface to volume ratio is high, wall heat transfer influences the temperature field inside the combustion chamber. The use of a realistic wall temperature distribution becomes important in the case of a downsized engine where fresh gases hot spots found near high temperature walls can initiate auto-ignition. This paper presents a comprehensive numerical methodology for an accurately prediction of thermodynamic conditions inside the combustion chamber based on Conjugate Heat Transfer (CHT).
Technical Paper

Coupled Eulerian Internal Nozzle Flow and Lagrangian Spray Simulations for GDI Systems

2017-03-28
2017-01-0834
An extensive numerical study of two-phase flow inside the nozzle holes and the issuing jets for a multi-hole direct injection gasoline injector is presented. The injector geometry is representative of the Spray G nozzle, an eight-hole counter-bored injector, from the Engine Combustion Network (ECN). Homogeneous Relaxation Model (HRM) coupled with the mixture multiphase approach in the Eulerian framework has been utilized to capture the phase change phenomena inside the nozzle holes. Our previous studies have demonstrated that this approach is capable of capturing the effect of injection transients and thermodynamic conditions in the combustion chamber, by predicting phenomenon such as flash boiling. However, these simulations were expensive, especially if there is significant interest in predicting the spray behavior as well.
Journal Article

Gasoline Fuels Assessment for Delphi’s Second Generation Gasoline Direct-Injection Compression Ignition (GDCI) Multi-Cylinder Engine

2017-03-28
2017-01-0743
Fuel efficiency and emission performance sensitivity to fuel reactivity was examined using Delphi’s second-generation Gasoline Direct-Injection Compression Ignition (Gen 2.0 GDCI) multi-cylinder engine. The study was designed to compare a US market gasoline (RON 92 E10) to a higher reactivity gasoline (RON 80) at four operating conditions ranging from light load of 800 rpm / 2.0 bar gross indicated-mean-effective pressure (IMEPg) to medium load of 2000 rpm / 10.0 bar IMEPg. The experimental assessment indicated that both gasolines could achieve good performance and Tier 3 emission targets at each of the four operating conditions. Relative to the RON 92 E10 gasoline, better fuel consumption and engine-out emissions performance was achieved when using RON 80 gasoline; consistent with our previously reported single-cylinder engine research [1].
Journal Article

Phenomenological Autoignition Model for Diesel Sprays Using Reduced Chemical Kinetics and a Characteristic Scalar Dissipation Rate

2017-03-28
2017-01-0523
This study focuses on the development of an autoignition model for diesel sprays that is applicable to phenomenological multi-zone combustion models. These models typically use a single-step Arrhenius expression to represent the low-temperature chemistry leading up to autoignition. There has been a substantial amount of work done in the area of n-heptane autoignition in homogeneous mixtures. Reduced kinetic mechanisms with ten reactions or less have been proposed in the literature to represent the complex low-temperature oxidation of n-heptane. These kinetic models are attractive for multi-zone simulations because of the low number of reactions involved. However, these kinetic mechanisms and the multi-zone treatment of the fuel spray do not account for the effect of turbulence/chemistry interactions on the chemical reaction rate.
Journal Article

A Progress Review on Soot Experiments and Modeling in the Engine Combustion Network (ECN)

2016-04-05
2016-01-0734
The 4th Workshop of the Engine Combustion Network (ECN) was held September 5-6, 2015 in Kyoto, Japan. This manuscript presents a summary of the progress in experiments and modeling among ECN contributors leading to a better understanding of soot formation under the ECN “Spray A” configuration and some parametric variants. Relevant published and unpublished work from prior ECN workshops is reviewed. Experiments measuring soot particle size and morphology, soot volume fraction (fv), and transient soot mass have been conducted at various international institutions providing target data for improvements to computational models. Multiple modeling contributions using both the Reynolds Averaged Navier-Stokes (RANS) Equations approach and the Large-Eddy Simulation (LES) approach have been submitted. Among these, various chemical mechanisms, soot models, and turbulence-chemistry interaction (TCI) methodologies have been considered.
Journal Article

Operation of a Gasoline Direct Injection Compression Ignition Engine on Naphtha and E10 Gasoline Fuels

2016-04-05
2016-01-0759
Gasoline Direct Injection Compression Ignition (GDCI) is a partially premixed low temperature combustion process that has demonstrated high fuel efficiency with full engine load range capabilities, while emitting very low levels of particulate matter (PM) and oxides of nitrogen (NOx). In the current work, a comparison of engine combustion, performance, and emissions has been made among E10 gasoline and several full-boiling range naphtha fuels on a Gen 2 single-cylinder GDCI engine with compression ratio of 15:1. Initial results with naphtha demonstrated improved combustion and efficiency at low loads. With naphtha fuel, hydrocarbon and carbon monoxide emissions were generally reduced at low loads but tended to be higher at mid-loads despite the increased fuel reactivity. At higher loads, naphtha required less boost pressure compared to gasoline, however, up to 20% additional EGR was required to maintain combustion phasing.
Journal Article

Exploring the Relationship Between Octane Sensitivity and Heat-of-Vaporization

2016-04-05
2016-01-0836
The latent heat-of-vaporization (HoV) of blends of biofuel and hydrocarbon components into gasolines has recently experienced expanded interest because of the potential for increased HoV to increase fuel knock resistance in direct-injection (DI) engines. Several studies have been conducted, with some studies identifying an additional anti-knock benefit from HoV and others failing to arrive at the same conclusion. Consideration of these studies holistically shows that they can be grouped according to the level of fuel octane sensitivity variation within their fuel matrices. When comparing fuels of different octane sensitivity significant additional anti-knock benefits associated with HoV are sometimes observed. Studies that fix the octane sensitivity find that HoV does not produce additional anti-knock benefit. New studies were performed at ORNL and NREL to further investigate the relationship between HoV and octane sensitivity.
Journal Article

Numerical Investigation of Two-Phase Flow Evolution of In- and Near-Nozzle Regions of a Gasoline Direct Injection Engine During Needle Transients

2016-04-05
2016-01-0870
This work involves modeling internal and near-nozzle flows of a gasoline direct injection (GDI) nozzle. The Engine Combustion Network (ECN) Spray G condition has been considered for these simulations using the nominal geometry of the Spray G injector. First, best practices for numerical simulation of the two-phase flow evolution inside and the near-nozzle regions of the Spray G injector are presented for the peak needle lift. The mass flow rate prediction for peak needle lift was in reasonable agreement with experimental data available in the ECN database. Liquid plume targeting angle and liquid penetration estimates showed promising agreement with experimental observations. The capability to assess the influence of different thermodynamic conditions on the two-phase flow nature was established by predicting non-flashing and flashing phenomena.
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