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This paper is part of a larger body of experimental and computational work devoted to studying the role of close-coupled post injections on soot reduction in a heavy-duty optical engine. It is a continuation of an earlier computational paper. The goals of the current work are to develop new CFD analysis tools and methods and apply them to gain a more in depth understanding of the different in-cylinder environments into which fuel from main- and post-injections are injected and to study how the in-cylinder flow, thermal and chemical fields are transformed between start of injection timings. The engine represented in this computational study is a single-cylinder, direct-injection, heavy-duty, low-swirl engine with optical components. It is based on the Cummins N14, has a cylindrical shaped piston bowl and an eight-hole injector that are both centered on the cylinder axis. The fuel used was n-heptane and the engine operating condition was light load at 1200 RPM.

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.

Reactivity Controlled Compression Ignition (RCCI) has been shown to be an attractive concept to achieve clean and high efficiency combustion. RCCI can be realized by applying two fuels with different reactivities, e.g., diesel and gasoline. This motivates the idea of using a single low reactivity fuel and direct injection (DI) of the same fuel blended with a small amount of cetane improver to achieve RCCI combustion. In the current study, numerical investigation was conducted to simulate RCCI and HCCI combustion and emissions with various fuels, including gasoline/diesel, iso-butanol/diesel and iso-butanol/iso-butanol+di-tert-butyl peroxide (DTBP) cetane improver. A reduced Primary Reference Fuel (PRF)-iso-butanol-DTBP mechanism was formulated and coupled with the KIVA computational fluid dynamic (CFD) code to predict the combustion and emissions of these fuels under different operating conditions in a heavy duty diesel engine.

Due to the upcoming regulations for particulate matter (PM) emissions from GDI engines, a computational fluid dynamic (CFD) modeling study to predict soot emissions (both mass and solid particle number) from gasoline direct injection (GDI) engines was undertaken to provide insights on how and why soot emissions are formed from GDI engines. In this way, better methods may be developed to control or reduce PM emissions from GDI engines. In this paper, the influence of engine operating parameters was examined for a side-mounted fuel injector configuration in a direct-injection spark-ignition (DISI) engine. The present models are able to reasonably predict the influences of the variables of interest compared to available experimental data or literature. For a late injection strategy, effects of the fuel composition, and spray cone angle were investigated with a single-hole injector.

The application of close-coupled post injections in diesel engines has been proven to be an effective in-cylinder strategy for soot reduction, without much fuel efficiency penalty. But due to the complexity of in-cylinder combustion, the soot reduction mechanism of post-injections is difficult to explain. Accordingly, a simulation study using a three dimensional computational fluid dynamics (CFD) model, coupled with the SpeedChem chemistry solver and a semi-detailed soot model, was carried out to investigate post-injection in a constant volume combustion chamber, which is more simple and controllable with respect to the boundary conditions than an engine. A 2-D axisymmetric mesh of radius 2 cm and height 5 cm was used to model the spray. Post-injection durations and initial oxygen concentrations were swept to study the efficacy of post-injection under different combustion conditions.

The incorporation of detailed chemistry models in internal combustion engine simulations is becoming mandatory as local, globally lean, low-temperature combustion strategies are setting the path towards a more efficient and environmentally sustainable use of energy resources in transportation. In this paper, we assessed the computational efficiency of a recently developed sparse analytical Jacobian chemistry solver, namely ‘SpeedCHEM’, that features both direct and Krylov-subspace solution methods for maximum efficiency for both small and large mechanism sizes. The code was coupled with a high-dimensional clustering algorithm for grouping homogeneous reactors into clusters with similar states and reactivities, to speed-up the chemical kinetics solution in multi-dimensional combustion simulations.

One in-cylinder strategy for reducing soot emissions from diesel engines while maintaining fuel efficiency is the use of close-coupled post injections, which are small fuel injections that follow the main fuel injection after a short delay. While the in-cylinder mechanisms of diesel combustion with single injections have been studied extensively and are relatively well understood, the in-cylinder mechanisms affecting the performance and efficacy of post injections have not been clearly established. Here, experiments from a single-cylinder heavy-duty optical research engine incorporating close- coupled post injections are modeled with three dimensional (3D) computational fluid dynamics (CFD) simulations. The overall goal is to complement experimental findings with CFD results to gain more insight into the relationship between post-injections and soot. This paper documents the first stage of CFD results for simulating and analyzing the experimental conditions.

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.

The effects of different Research Octane Number [RON] fuels on a multi-cylinder light-duty compression ignition [CI] engine were investigated at light load conditions. Experiments were conducted on a GM 1.9L 4-cylinder diesel engine at Argonne National Laboratory, using two different fuels, i.e., 75 RON and 93 RON. Emphasis was placed on 5 bar BMEP load, 2000 rev/min engine operation using two different RON fuels, and 2 bar BMEP load operating at 1500 rev/min using 75 RON gasoline fuel. The experiments reveal difficulty in controlling combustion at low load points using the higher RON fuel. In order to explain the experimental trends, simulations were carried out using the KIVA3V-Chemkin Computational Fluid Dynamics [CFD] Code. The numerical results were validated with the experimental results and provided insights about the engine combustion characteristics at different speeds and low load conditions using different fuels.

In a recent study, quantitative measurements were presented of in-cylinder spatial distributions of mixture equivalence ratio in a single-cylinder light-duty optical diesel engine, operated with a non-reactive mixture at conditions similar to an early injection low-temperature combustion mode. In the experiments a planar laser-induced fluorescence (PLIF) methodology was used to obtain local mixture equivalence ratio values based on a diesel fuel surrogate (75% n-heptane, 25% iso-octane), with a small fraction of toluene as fluorescing tracer (0.5% by mass). Significant changes in the mixture's structure and composition at the walls were observed due to increased charge motion at high swirl and injection pressure levels. This suggested a non-negligible impact on wall heat transfer and, ultimately, on efficiency and engine-out emissions.

In a recent experimental study the in-cylinder spatial distribution of mixture equivalence ratio was quantified under non-combusting conditions by planar laser-induced fluorescence (PLIF) of a fuel tracer (toluene). The measurements were made in a single-cylinder, direct-injection, light-duty diesel engine at conditions matched to an early-injection low-temperature combustion mode. A fuel amount corresponding to a low load (3.0 bar indicated mean effective pressure) operating condition was introduced with a single injection at -23.6° ATDC. The data were acquired during the mixture preparation period from near the start of injection (-22.5° ATDC) until the crank angle where the start of high-temperature heat release normally occurs (-5° ATDC). In the present study the measured in-cylinder images are compared with a fully resolved three-dimensional CFD model, namely KIVA3V-RANS simulations.

Reactivity Controlled Compression Ignition (RCCI) is an engine combustion strategy that produces low NO and PM emissions with high thermal efficiency. Previous RCCI research has been investigated in single-cylinder heavy-duty engines. The current study investigates RCCI operation in a light-duty multi-cylinder engine at 3 operating points. These operating points were chosen to cover a range of conditions seen in the US EPA light-duty FTP test. The operating points were chosen by the Ad Hoc working group to simulate operation in the FTP test. The fueling strategy for the engine experiments consisted of in-cylinder fuel blending using port fuel-injection (PFI) of gasoline and early-cycle, direct-injection (DI) of diesel fuel. At these 3 points, the stock engine configuration is compared to operation with both the original equipment manufacturer (OEM) and custom-machined pistons designed for RCCI operation.

This paper describes numerical simulations that compare the performance of two combustion CFD models against experimental data, and evaluates the effects of combustion and spray model constants on the predicted combustion and emissions under various operating conditions. The combustion models include a Characteristic Time Combustion (CTC) model and CHEMKIN with reduced chemistry models integrated in the KIVA-3Vr2 CFD code. The diesel spray process was modeled using an updated version of the KH-RT spray model that features a gas jet submodel to help reduce numerical grid dependencies, and the effects of both the spray and combustion model constants on combustion and emissions were evaluated. In addition, the performance of two soot models was compared, namely a two-step soot model, and a more detailed model that considers soot formation from PAH precursors.

Dual-fuel reactivity controlled compression ignition (RCCI) engine experiments were conducted with port fuel injection of isooctane and direct injection of n-heptane. The experiments were conducted at a nominal load of 4.75 bar IMEPg, with low isooctane equivalence ratios. Two sets of experiments explored the effects of direct injection timing with single and double injections, and multi-dimensional CFD modeling was used to explore mixture preparation and timing effects. The findings were that if fuel-liner impingement is to be avoided, double injections provide a 40% reduction in CO and HC emissions, resulting in a 1% increase in thermal efficiency. The second engine experiment showed that there is a linear relationship between reactivity (PRF number) and intake temperature. It was also found that if the premixed fuel fraction is above a certain limit, the high-temperature heat release (HTHR) can be manipulated by changing the global PRF number of the in-cylinder fuel blend.

The simulation of combustion chemistry in internal combustion engines is challenging due to the need to include detailed reaction mechanisms to describe the engine physics. Computational times needed for coupling full chemistry to CFD simulations are still too computationally demanding, even when distributed computer systems are exploited. For these reasons the present paper proposes a time scale separation approach for the integration of the chemistry differential equations and applies it in an engine CFD code. The time scale separation is achieved through the estimation of a characteristic time for each of the species and the introduction of a sampling timestep, wherein the chemistry is subcycled during the overall integration. This allows explicit integration of the system to be carried out, and the step size is governed by tolerance requirements.

This paper concerns an innovative concept to control HCCI combustion in diesel-fuelled engines. It was named Homogenous Charge Progressive Combustion (HCPC) and operates on the split-cycle principle. In previous papers the feasibility of this combustion concept was shown for light-duty diesel engines. This paper illustrates a CFD study concerning a heavy-duty version of the HCPC engine. The engine displaces 13 liters and develops 700 kW indicated power at 2200 rpm with 49% maximum indicated efficiency and clean combustion.

Single-cylinder engine experiments were used to investigate a fuel reactivity controlled compression ignition (RCCI) concept in both light- and heavy-duty engines and comparisons were made between the two engine classes. It was found that with only small changes in the injection parameters, the combustion characteristics of the heavy-duty engine could be adequately reproduced in the light-duty engine. Comparisons of the emissions and performance showed that both engines can simultaneously achieve NOx below 0.05 g/kW-hr, soot below 0.01 g/kW-hr, ringing intensity below 4 MW/m2, and gross indicated efficiencies above 50 per cent. However, it was found that the peak gross indicated efficiency of the baseline light-duty engine was approximately 7 per cent lower than the heavy-duty engine. The energy balances of the two engines were compared and it was found that the largest factor contributing to the lower efficiency of the light-duty engine was increased heat transfer losses.

A multi-component fuel model is used to represent gasoline in computational fluid dynamics (CFD) simulations of a dual-fuel engine that combines premixed gasoline injection with diesel direct injection. The simulations employ detailed-kinetics mechanisms for both the gasoline and diesel surrogate fuels, through use of an advanced and efficient chemistry solver. The objective of this work is to elucidate kinetics effects of dual-fuel usage in Reactivity Controlled Compression Ignition (RCCI) combustion. The model is applied to simulate recent experiments on highly efficient RCCI engines. These engine experiments used a dual-fuel RCCI strategy with port-fuel-injection of gasoline and early-cycle, multiple injections of diesel fuel with a conventional diesel injector. The experiments showed that the US 2010 heavy-duty NO and soot emissions regulations were easily met without aftertreatment, while achieving greater than 50% net indicated thermal efficiency.

High-pressure diesel sprays were simulated with an Eulerian-Lagrangian Spray and Atomization (ELSA) model, based on a multidimensional engine computational fluid dynamics (CFD) code KIVA-3V. The atomization of the dense liquid core in the near-nozzle region was modeled with turbulent mixing of the diesel fuel with the ambient gas. Under the continuum assumption of a fuel-air mixture in this region, two transport equations were solved for the liquid mass fraction and liquid surface area density. At a certain downstream location where the spray became dilute, a switch from the Eulerian to the Lagrangian approach was made to benefit from the advantages of the conventional Lagrangian droplet models, such as droplet collision and turbulent dispersion modeling. The droplet size and velocity to be initialized at this switch were determined by the local CFD cell properties.

Engine experiments and multi-dimensional modeling were used to explore Reactivity Controlled Compression Ignition (RCCI) to realize highly-efficient combustion with near zero levels of NOx and PM. In-cylinder fuel blending using port-fuel-injection of a low reactivity fuel and optimized direct-injection of higher reactivity fuels was used to control combustion phasing and duration. In addition to injection and operating parameters, the study explored the effect of fuel properties by considering both gasoline-diesel dual-fuel operation, ethanol (E85)-diesel dual fuel operation, and a single fuel gasoline-gasoline+DTBP (di-tert butyl peroxide cetane improver). Remarkably, high gross indicated thermal efficiencies were achieved, reaching 59%, 56%, and 57% for E85-diesel, gasoline-diesel, and gasoline-gasoline+DTBP respectively.