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Accurately predicting the evolution of soot mass and soot particle numbers under engine conditions is critical to advanced engine design. A detailed soot-chemistry model that can capture soot under gasoline and diesel conditions without tuning is necessary for such predictions. Building confidence in the predictive usage of the chemistry in engine simulations requires validating the soot kinetics over a wide range of operating conditions and fuels, using data from different experimental techniques, and using sources from laboratory flames to engines. This validation study focuses on a soot-chemistry model that considers multiple nucleation, growth, and oxidation reaction pathways. It involves 14 gas-phase precursors and considers the effect of different soot-particle surface sites.

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.

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.

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.

The 3-Zones Extended Coherent Flame Model (ECFM3Z) and the Tabulated Kinetics for Ignition (TKI) auto-ignition model are widely used for RANS simulations of reactive flows in Diesel engines. ECFM3Z accounts for the turbulent mixing between one zone that contains compressed air and EGR and another zone that contains evaporated fuel. These zones mix to form a reactive zone where combustion occurs. In this mixing zone TKI is applied to predict the auto-ignition event, including the ignition delay time and the heat release rate. Because it is tabulated, TKI can model complex fuels over a wide range of engine thermodynamic conditions. However, the ECFM3Z/TKI combustion modeling approach requires an efficient predictive spray injection calculation. In a Diesel direct injection engine, the turbulent mixing and spray atomization are mainly driven by the liquid/gas coupling phenomenon that occurs at moving liquid/gas interfaces.

Due to the new challenge of meeting number-based regulations for particulate matter (PM), a numerical and experimental study has been conducted to better understand particulate formation in engines fuelled with compressed natural gas. The study has been conducted on a Heavy-Duty, Euro VI, 4-cylinder, spark ignited engine, with multipoint sequential phased injection and stoichiometric combustion. For the experimental measurements two different instruments were used: a condensation particle counter (CPC) and a fast-response particle size spectrometer (DMS) the latter able also to provide a particle size distribution of the measured particles in the range from 5 to 1000 nm. Experimental measurements in both stationary and transient conditions were carried out. The data using the World Harmonized Transient Cycle (WHTC) were useful to detect which operating conditions lead to high numbers of particles. Then a further transient test was used for a more detailed and deeper analysis.

A novel 2-zone combustion chamber concept (patent pending) was developed using multi-dimensional modeling. At minimum volume, an axial projection in the piston divides the volume into distinct zones joined by a communication channel. The projection provides a means to control the mixture formation and combustion phasing within each zone. The novel combustion system was applied to reactivity controlled compression ignition (RCCI) combustion in both light-duty and heavy-duty diesel engines. Results from the study of an 8.8 bar BMEP, 2600 RPM operating condition are presented for the light-duty engine. The results from the heavy-duty engine are at an 18.1 bar BMEP, 1200 RPM operating condition. The effect of several major design features were investigated including the volume split between the inner and outer combustion chamber volumes, the clearance (squish) height, and the top ring land (crevice) volume.

Control of the timing and magnitude of heat release is one of the biggest challenges for premixed compression ignition, especially when attempting to operate at high load. Single-fuel strategies such as partially premixed combustion (PPC) use direct injection of gasoline to stratify equivalence ratio and retard heat release, thereby reducing pressure rise rate and enabling high load operation. However, retarding the heat release also reduces the maximum work extraction, effectively creating a tradeoff between efficiency and noise. Dual-fuel strategies such as reactivity controlled compression ignition (RCCI) use premixed gasoline and direct injection of diesel to stratify both equivalence ratio and fuel reactivity, which allows for greater control over the timing and duration of heat release. This enables combustion phasing closer to top dead center (TDC), which is thermodynamically favorable.

While Low Temperature Combustion (LTC) strategies such as Reactivity Controlled Compression Ignition (RCCI) exhibit high thermal efficiency and produce low NOx and soot emissions, low load operation is still a significant challenge due to high unburnt hydrocarbon (UHC) and carbon monoxide (CO) emissions, which occur as a result of poor combustion efficiencies at these operating points. Furthermore, the exhaust gas temperatures are insufficient to light-off the Diesel Oxidation Catalyst (DOC), thereby resulting in poor UHC and CO conversion efficiencies by the aftertreatment system. To achieve exhaust gas temperature values sufficient for DOC light-off, combustion can be appropriately phased by changing the ratio of gasoline to diesel in the cylinder, or by burning additional fuel injected during the expansion stroke through post-injection.

The present experimental engine efficiency study explores the effects of intake pressure and temperature, and premixed and global equivalence ratios on gross thermal efficiency (GTE) using the reactivity controlled compression ignition (RCCI) combustion strategy. Experiments were conducted in a heavy-duty single-cylinder engine at constant net load (IMEPn) of 8.45 bar, 1300 rev/min engine speed, with 0% EGR, and a 50% mass fraction burned combustion phasing (CA50) of 0.5°CA ATDC. The engine was port fueled with E85 for the low reactivity fuel and direct injected with 3.5% 2-ethylhexyl nitrate (EHN) doped into 91 anti-knock index (AKI) gasoline for the high-reactivity fuel. The resulting reactivity of the enhanced fuel corresponds to an AKI of approximately 56 and a cetane number of approximately 28. The engine was operated with a wide range of intake pressures and temperatures, and the ratio of low- to high-reactivity fuel was adjusted to maintain a fixed speed-phasing-load condition.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that utilizes in-cylinder fuel blending to produce low NOx and PM emissions while maintaining high thermal efficiency. The current study investigates RCCI and conventional diesel combustion (CDC) operation in a light-duty multi-cylinder engine over transient operating conditions using a high-bandwidth, transient capable engine test cell. Transient RCCI and CDC combustion and emissions results are compared over an up-speed change from 1,000 to 2,000 rev/min. and a down-speed change from 2,000 to 1,000 rev/min. at a constant 2.0 bar BMEP load. The engine experiments consisted of in-cylinder fuel blending with port fuel-injection (PFI) of gasoline and early-cycle, direct-injection (DI) of ultra-low sulfur diesel (ULSD) for the RCCI tests and the same ULSD for the CDC tests.

This paper implements a coupled approach to integrate the internal nozzle flow and the ensuing fuel spray using a Volume-of-Fluid (VOF) method in the CONVERGE CFD software. A VOF method was used to model the internal nozzle two-phase flow with a cavitation description closed by the homogeneous relaxation model of Bilicki and Kestin [1]. An Eulerian single velocity field approach by Vallet et al. [2] was implemented for near-nozzle spray modeling. This Eulerian approach considers the liquid and gas phases as a complex mixture with a highly variable density to describe near nozzle dense sprays. The mean density is obtained from the Favreaveraged liquid mass fraction. The liquid mass fraction is transported with a model for the turbulent liquid diffusion flux into the gas.

Real transportation fuels, such as gasoline and diesel, are mixtures of thousands of different hydrocarbons. For multidimensional engine applications, numerical simulations of combustion of real fuels with all of the hydrocarbon species included exceeds present computational capabilities. Consequently, surrogate fuel models are normally utilized. A good surrogate fuel model should approximate the essential physical and chemical properties of the real fuel. In this work, we present a novel methodology for the formulation of surrogate fuel models based on local optimization and sensitivity analysis technologies. Within the proposed approach, several important fuel properties are considered. Under the physical properties, we focus on volatility, density, lower heating value (LHV), and viscosity, while the chemical properties relate to the chemical composition, hydrogen to carbon (H/C) ratio, and ignition behavior. An error tolerance is assigned to each property for convergence checking.

3-D Computational Fluid Dynamics (CFD) simulations have been performed to study particulate formation in a Spark-Ignition (SI) engine under premixed conditions. A semi-detailed soot model and a chemical kinetic model, including poly-aromatic hydrocarbon (PAH) formation, were coupled with a spark ignition model and the G equation flame propagation model for SI engine simulations and for predictions of soot mass and particulate number density. The simulation results for in-cylinder pressure and particle size distribution (PSDs) are compared to available experimental studies of equivalence ratio effects during premixed operation. Good predictions are observed with regard to cylinder pressure, combustion phasing and engine load. Qualitative agreements of in-cylinder particle distributions were also obtained and the results are helpful to understand particulate formation processes.

Due to concerns regarding pollutant and CO2 emissions, advanced combustion modes that can simultaneously reduce exhaust emissions and improve thermal efficiency have been widely investigated. The main characteristic of the new combustion strategies, such as HCCI and LTC, is that the formation of a homogenous mixture or a controllable stratified mixture is required prior to ignition. The major issue with these approaches is the lack of a direct method for the control of ignition timing and combustion rate, which can be only indirectly controlled using high EGR rates and/or lean mixtures. Homogeneous Charge Progressive Combustion (HCPC) is based on the split-cycle principle. Intake and compression phases are performed in a reciprocating external compressor, which drives the air into the combustor cylinder during the combustion process, through a transfer duct. A transfer valve is positioned between the compressor cylinder and the transfer duct.

A set of reduced chemical mechanisms was developed for use in multi-dimensional engine simulations of premixed gasoline combustion. The detailed Primary Reference Fuel (PRF) mechanism (1034 species, 4236 reactions) from Lawrence Livermore National Laboratory (LLNL) was employed as the starting mechanism. The detailed mechanism, referred to here as LLNL-PRF, was reduced using a technique known as Parallel Direct Relation Graph with Error Propagation and Sensitivity Analysis. This technique allows for efficient mechanism reduction by parallelizing the ignition delay calculations used in the reduction process. The reduction was performed for a temperature range of 800 to 1500 K and equivalence ratios of 0.5 to 1.5. The pressure range of interest was 0.75 bar to 40 bar, as dictated by the wide range in spark timing cylinder pressures for the various cases. In order to keep the mechanisms relatively small, two reductions were performed.

Diesel fuels are complex mixtures of thousands of hydrocarbons. Since modeling their combustion characteristics with the inclusion of all hydrocarbon species is not feasible, a hybrid surrogate model approach is used in the present work to represent the physical and chemical properties of three different diesel fuels by using up to 13 and 4 separate hydrocarbon species, respectively. The surrogates are arrived at by matching their distillation profiles and important properties with the real fuel, while the chemistry surrogates are arrived at by using a Group Chemistry Representation (GCR) method wherein the hydrocarbon species in the physical property surrogates are grouped based on their chemical classes, and the chemistry of each class is represented by using up to two hydrocarbon species.

A state-of-the-art spray modeling methodology, recently applied to RANS simulations, is presented for LES calculations. Key features of the methodology, such as Adaptive Mesh Refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, are described. The ability of this approach to use cell sizes much smaller than the nozzle diameter is demonstrated. Grid convergence of key parameters is verified for non-evaporating and evaporating spray cases using cell sizes down to 1/32 mm. It is shown that for global quantities such as spray penetration, comparing a single LES simulation to experimental data is reasonable, however for local quantities the average of many simulated injections is necessary. Grid settings are recommended that optimize the accuracy/runtime tradeoff for LES-based spray simulations.

Advanced combustion systems that simultaneously address PM and NOx while retaining the high efficiency of modern diesel engines, are being developed around the globe. One of the most difficult problems in the area of advanced combustion technology development is the control of combustion initiation and retaining power density. During the past several years, significant progress has been accomplished in reducing emissions of NOx and PM through strategies such as LTC/HCCI/PCCI/PPCI and other advanced combustion processes; however control of ignition and improving power density has suffered to some degree - advanced combustion engines tend to be limited to the 10 bar BMEP range and under. Experimental investigations have been carried out on a light-duty DI multi-cylinder diesel automotive engine. The engine is operated in low temperature combustion (LTC) mode using 93 RON (Research Octane Number) and 74 RON fuel.

The paper presents the development of a novel approach to the solution of detailed chemistry in internal combustion engine simulations, which relies on the analytical computation of the ordinary differential equations (ODE) system Jacobian matrix in sparse form. Arbitrary reaction behaviors in either Arrhenius, third-body or fall-off formulations can be considered, and thermodynamic gas-phase mixture properties are evaluated according to the well-established 7-coefficient JANAF polynomial form. The current work presents a full validation of the new chemistry solver when coupled to the KIVA-4 code, through modeling of a single cylinder Caterpillar 3401 heavy-duty engine, running in two-stage combustion mode.