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We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. The methodology judiciously uses a fluid mechanics code followed by a chemical kinetics code to achieve great reduction in the computational requirements; to a level that can be handled with current computers. In previous papers, our sequential, multi-zone methodology has been applied to HCCI combustion of short-chain hydrocarbons (natural gas and propane). Applying the same procedure to long-chain hydrocarbons (iso-octane) results in unacceptably long computational time. In this paper, we show how the computational time can be made acceptable by developing a segregated solver. This reduces the run time of a ten-zone problem by an order of magnitude and thus makes it much more practical to make combustion studies of long-chain hydrocarbons.

An engine cycle simulation code with detailed chemical kinetics has been developed to study Homogeneous Charge Compression Ignition (HCCI) combustion with hydrogen as the fuel. In order to attain adequate combustion duration, resulting from the self-accelerating nature of the chemical reaction, fuel and temperature inhomogeneities have been brought to the calculation by considering the combustion chamber to have various temperature and fuel distributions. Calculations have been done under various conditions including both perfectly homogeneous and inhomogeneous cases, changing the degree of inhomogeneity. The results show that intake gas temperature is more dominant on ignition timing of HCCI than equivalence ratio and that there is a possibility to control HCCI by introducing appropriate temperature inhomogeneity to in-cylinder mixture.

We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. This procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers.

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.

The present study introduces a modeling approach for investigating the effects of valve events and gas exchange processes in the framework of a full-cycle HCCI engine simulation. A multi-dimensional fluid mechanics code, KIVA-3V, is used to simulate exhaust, intake and compression up to a transition point, before which chemical reactions become important. The results are then used to initialize the zones of a multi-zone, thermo-kinetic code, which computes the combustion event and part of the expansion. After the description and the validation of the model against experimental data, the application of the method is illustrated in the context of variable valve actuation. It has been shown that early exhaust valve closing, accompanied by late intake valve opening, has the potential to provide effective control of HCCI combustion.

Exhaust gas rebreathing is considered to be a practical enabler that could be used in HCCI production engines. Recent experimental work at the University of Michigan demonstrates that the combustion characteristics of an HCCI engine using large amounts of hot residual gas by rebreathing are very sensitive to engine thermal conditions. This computational study addresses HCCI engine operation with rebreathing, with emphasis on the effects of engine thermal conditions during transient periods. A 1-D cycle simulation with thermal networks is carried out under load and speed transitions. A knock integral auto-ignition model, a modified Woschni heat transfer model for HCCI engines and empirical correlations to define burn rate and combustion efficiency are incorporated into the engine cycle simulation model. The simulation results show very different engine behavior during the thermal transient periods compared with steady state.

This study investigates the use of a characteristic reaction time as a possible method to speed up automotive knock calculations. In an earlier study of HCCI combustion it was found that for ignition at TDC, the ignition delay time at TDC conditions was required to be approximately 10 crank angle degrees (CAD), regardless of engine speed. In this study the analysis has been applied to knock in SI engines over a wide range of engine operating conditions including boosted operation and retarded combustion phasing, typical of high load operation of turbocharged engines. Representative pressure curves were used as input to a detailed kinetics calculation for a gasoline surrogate fuel mechanism with 312 species. The same detailed mechanism was used to compile a data set with traditional constant volume ignition delays evaluated at the peak pressure conditions in the end gas assuming adiabatic compression.

Homogenous Charge Compression Ignition (HCCI) engines offer a good potential for achieving high fuel efficiency while virtually eliminating NOx and soot emissions from the exhaust. However, realizing the full fuel economy potential at the vehicle level depends on the size of the HCCI operating range. The usable HCCI range is determined by the knock limit on the upper end and the misfire limit at the lower end. Previously proven high sensitivity of the HCCI process to thermal conditions leads to a hypothesis that combustion chamber deposits (CCD) could directly affect HCCI combustion, and that insight about this effect can be helpful in expanding the low-load limit. A combustion chamber conditioning process was carried out in a single-cylinder gasoline-fueled engine with exhaust re-breathing to study CCD formation rates and their effect on combustion. Burn rates accelerated significantly over the forty hours of running under typical HCCI operating conditions.

A numerical study has been conducted to investigate possible extension of the low load limit of the HCCI operating range by charge stratification using direct injection. A wide range of SOI timings at a low load HCCI engine operating condition were numerically examined to investigate the effect of DI. A multidimensional CFD code KIVA3v with a turbulent combustion model based on a modified flamelet approach was used for the numerical study. The CFD code was validated against experimental data by comparing pressure traces at different SOI’s. A parametric study on the effect of SOI on combustion has been carried out using the validated code. Two parameters, the combustion efficiency and CO emissions, were chosen to examine the effect of SOI on combustion, which showed good agreement between numerical results and experiments. Analysis of the in-cylinder flow field was carried out to identify the source of CO emissions at various SOI’s.

The thermal conditions of an engine structure, in particular the wall temperatures, have been shown to have a great effect on the HCCI engine combustion timing and burn rates through wall heat transfer, especially during transient operations. This study addresses the effects of thermal inertia on combustion in an HCCI engine. In this study, the control of combustion timing in an HCCI engine is achieved by modulating the residual gas fraction (RGF) while considering the wall temperatures. A multi-cylinder engine simulation with detailed geometry is carried out using a 1-D system model (GT-Power®) that is linked with Simulink®. The model includes a finite element wall temperature solver and is enhanced with original HCCI combustion and heat transfer models. Initially, the required residual gas fraction for optimal BSFC is determined for steady-state operation. The model is then used to derive a map of the sensitivity of optimal residual gas fraction to wall temperature excursions.

A direct injection-gasoline (DI-G) system was applied to a heavy-duty diesel-type engine to study the effects of charge stratification on the performance of premixed compression ignited combustion. The effects of the fuel injection parameters on combustion phasing were of primary interest. The simultaneous effects of the fuel stratification on Unburned Hydrocarbon (UHC), Oxides of Nitrogen (NOx), Carbon Monoxide (CO), and smoke emissions were also measured. Engine tests were conducted with altered injection parameters covering the entire load range of normally aspirated Homogeneous Charge Compression Ignited (HCCI) combustion. Combustion phasing tests were also conducted at several engine speeds to evaluate its effects on a fuel stratification strategy.

Natural gas quality, in terms of the volume fraction of higher hydrocarbons, strongly affects the auto-ignition characteristics of the air-fuel mixture, the engine performance and its controllability. The influence of natural gas composition on engine operation has been investigated both experimentally and through chemical kinetic based cycle simulation. A range of two component gas mixtures has been tested with methane as the base fuel. The equivalence ratio (0.3), the compression ratio (19.8), and the engine speed (1000 rpm) were held constant in order to isolate the impact of fuel autoignition chemistry. For each fuel mixture, the start of combustion was phased near top dead center (TDC) and then the inlet mixture temperature was reduced. These experimental results have been utilized as a source of data for the validation of a chemical kinetic based full-cycle simulation.

The present study investigated HCCI combustion in a heavy-duty diesel engine both experimentally and numerically. The engine was equipped with a hollow-cone pressure-swirl injector using gasoline direct injection. Characteristics of HCCI combustion were obtained by very early injection with a heated intake charge. Experimental results showed an increase in NOx emission and a decrease in UHC as the injection timing was retarded. It was also found that optimization can be achieved by controlling the intake temperature together with the start-of-injection timing. The experiments were modeled by using an engine CFD code with detailed chemistry. The CHEMKIN code was implemented into KIVA-3V such that the chemistry and flow solutions were coupled. The model predicted ignition timing, cylinder pressure, and heat release rates reasonably well. The NOx emissions were found to increase as the injection timing was retarded, in agreement with experimental results.

We have developed an artificial neural network (ANN) based combustion model and have integrated it into a fluid mechanics code (KIVA3V) to produce a new analysis tool (titled KIVA3V-ANN) that can yield accurate HCCI predictions at very low computational cost. The neural network predicts ignition delay as a function of operating parameters (temperature, pressure, equivalence ratio and residual gas fraction). KIVA3V-ANN keeps track of the time history of the ignition delay during the engine cycle to evaluate the ignition integral and predict ignition for each computational cell. After a cell ignites, chemistry becomes active, and a two-step chemical kinetic mechanism predicts composition and heat generation in the ignited cells. KIVA3V-ANN has been validated by comparison with isooctane HCCI experiments in two different engines.

This simulation study explores the potential synergy between the HCCI engine system and three hybrid electric vehicle (HEV) configurations, and proposes the supervisory control strategy that maximizes the benefits of combining these two technologies. HCCI operation significantly improves fuel efficiency at part load, while hybridization aims to reduce low load/low speed operation. Therefore, a key question arises: are the effects of these two technologies additive or overlapping? The HEV configurations include two parallel hybrids with varying degrees of electrification, e.g. with a 5kW integrated starter/motor (“Mild”) and with a 10 kW electric machine (“Medium”), and a power-split hybrid. The engine is a dual-mode, SI-HCCI system and the engine map reflects the impact of HCCI on brake specific fuel consumption.

Advanced engine combustion strategies, such as HCCI and SACI, allow engines to achieve high levels of thermal efficiency with low levels of engine-out NOx emissions. To maximize gains in fuel efficiency, HCCI combustion is often run at lean operating conditions. However, lean engine operation prevents the conventional TWC after-treatment system from reaching legislated tailpipe emissions due to oxygen saturation. One potential solution for handling this challenge without the addition of costly NOx traps or on-board systems for urea injection is the passive TWC-SCR concept. This concept includes the integration of an SCR catalyst downstream of a TWC and the use of periods of rich or stoichiometric operation to generate NH3 over the TWC to be stored on the SCR catalyst until it is needed for NOx reduction during subsequent lean operation.

This research evaluates the capability of data-science models to classify the combustion events in Cooperative Fuel Research Engine (CFR) operated under Homogeneous Charge Compression Ignition (HCCI) conditions. A total of 10,395 experimental data from the CFR engine at the University of Michigan (UM), operated under different input conditions for 15 different fuel blends, were utilized for the study. The combustion events happening under HCCI conditions in the CFR engine are classified into four different modes depending on the combustion phasing and cyclic variability (COVimep). The classes are; no ignition/high COVimep, operable combustion, high MPRR, and early CA50. Two machine learning (ML) models, K-nearest neighbors (KNN) and Support Vector Machines (SVM), are compared for their classification capabilities of combustion events. Seven conditions are used as the input features for the ML models viz.

Adjusting the Residual Gas Fraction (RGF) by means of Variable Valve Actuation (VVA) is a strong candidate for controlling the ignition timing in Homogeneous Charge Compression Ignition (HCCI) engines. However, at high levels of residual gas fraction, insufficient mixing can lead to the presence of considerable temperature and composition variations. This paper extends previous modeling efforts to include the effect of RGF distribution on the onset of ignition and the rate of combustion using a multi-dimensional fluid mechanics code (KIVA-3V) sequentially with a multi-zone code with detailed chemical kinetics. KIVA-3V is used to simulate the gas exchange processes, while the multi-zone code computes the combustion event. It is shown that under certain conditions the effect of composition stratification is significant and cannot be captured by a single-zone model or a multi-zone model using only temperature zones.

Multi-zone CFD simulations with detailed kinetics were used to model iso-octane HCCI experiments performed on a single-cylinder research engine. The modeling goals were to validate the method (multi-zone combustion modeling) and the reaction mechanism (LLNL 857 species iso-octane) by comparing model results to detailed exhaust speciation data, which was obtained with gas chromatography. The model is compared to experiments run at 1200 RPM and 1.35 bar boost pressure over an equivalence ratio range from 0.08 to 0.28. Fuel was introduced far upstream to ensure fuel and air homogeneity prior to entering the 13.8:1 compression ratio, shallow-bowl combustion chamber of this 4-stroke engine. The CFD grid incorporated a very detailed representation of the crevices, including the top-land ring crevice and head-gasket crevice. The ring crevice is resolved all the way into the ring pocket volume. The detailed grid was required to capture regions where emission species are formed and retained.

In this paper, knock in a Ford single cylinder direct-injection spark-ignition (DISI) engine was modeled and investigated using the KIVA-3V code with a G-equation combustion model coupled with detailed chemical kinetics. The deflagrative turbulent flame propagation was described by the G-equation combustion model. A 22-species, 42-reaction iso-octane (iC8H18) mechanism was adopted to model the auto-ignition process of the gasoline/air/residual-gas mixture ahead of the flame front. The iso-octane mechanism was originally validated by ignition delay tests in a rapid compression machine. In this study, the mechanism was tested by comparing the simulated ignition delay time in a constant volume mesh with the values measured in a shock tube under different initial temperature, pressure and equivalence ratio conditions, and acceptable agreements were obtained.