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Concentrations of hydroxyl radicals and formaldehyde were calculated using homogeneous (HRM) and stochastic reactor models (SRM), and the result was compared to LIF-measurements from an optically accessed iso-octane / n-heptane fuelled homogeneous charge compression ignition (HCCI) engine. The comparison was at first conducted from averaged total concentrations / signal strengths over the entire combustion volume, which showed a good qualitative agreement between experiments and calculations. Time- and the calculation inlet temperature resolved concentrations of formaldehyde and hydroxyl radicals obtained through HRM are presented. Probability density plots (PDPs) through SRM calculations and LIF-measurements are presented and compared, showing a very good agreement considering their delicate and sensitive nature.

This paper explains the principle and advantages of the Ignition Progress Variable Library (IPV-Library) approach and its use in predicting engine related premixed, non-premixed and compression ignited combustion events. The implementation of IPV-Library model in the engine-focused CFD code VECTIS is described. To demonstrate the application of the model in predicting various types of combustion, computational results from a 2-stroke HCCI engine, a premixed spark ignition engine and an HSDI diesel engine are presented, together with some comparisons with engine test data.

The formation of exothermic centers was modeled with a Stochastic Reactor Model (SRM) to investigate their impact on HCCI combustion. By varying the exhaust valve temperature, and thus assigning more realistic wall temperatures, the formation of exothermic centers and the ignition timing was shifted in time. To be able to study the exothermic centers, their formation and their distribution, Scatter plots, standard deviation plots and Probability Density Function (PDF) plots were constructed on the basis of the data the SRM calculations provided. The standard deviation for the particle temperatures was found to be an useful indicator of the degree of homogeneity within the combustion chamber, and thus of how efficient the combustion process was. It was observed that when the standard deviation of the temperature was higher, the emissions of CO and of hydrocarbons present at the end of the closed cycle were higher.

The ability to predict cyclic variations is certainly useful in studying engine operating regimes, especially under unstable operating conditions where one single cycle may differ from another substantially and a single simulation may give rather misleading results. PDF based models such as Stochastic Reactor Models (SRM) are able to model cyclic variations, but these may be overpredicted if discretization is too coarse. The range of cyclic variations and the dependence of the ability to correctly assess their mean values on the number of cycles simulated were investigated. In most cases, the average values were assessed correctly on the basis of as few as 10 cycles, but assessing the complete range of cyclic variations could require a greater number of cycles. In studying average values, variations due too coarse discretization being employed are smaller than variations originating from changes in physical parameters, such as heat transfer and mixing parameters.

The solution mapping method Adaptive Polynomial Tabulation (APT) for complex chemistry is presented. The method has the potential of reducing the computational time required for stochastic reactor model simulations of the HCCI combustion process. In this method the solution of the initial value chemical rate equation system is approximated in real-time with zero, first and second order polynomial expressions. These polynomials are algebraic functions of a progress variable, pressure and total enthalpy. The chemical composition space is divided a priori into block-shaped regions (hypercubes) of the same size. Each hypercube may be divided in real-time into adaptive hypercubes of different sizes. During computations, initial conditions are stored in the adaptive hypercubes. Two concentric Ellipsoids of Accuracy (EOA) are drawn around each stored initial condition.

Operating the HCCI engine with dual fuels with a large difference in auto-ignition characteristics (octane number) is one way to control the HCCI operation. The effect of octane number on combustion, emissions and engine performance in a 6 cylinder SCANIA truck engine, fuelled with n-heptane and isooctane, and running in HCCI mode, are investigated numerically and compared with measurements taken from Olsson et al. [SAE 2000-01-2867]. To correctly simulate the HCCI engine operation, we implement a probability density function (PDF) based stochastic reactor model (including detailed chemical kinetics and accounting for inhomogeneities in composition and temperature) coupled with GT-POWER, a 1-D fluid dynamics based engine cycle simulator. Such a coupling proves to be ideal for the understanding of the combustion phenomenon as well as the gas dynamics processes intrinsic to the engine cycle.

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.

In this paper an online method for automatically reducing complex chemical mechanisms for simulations of combustion phenomena has been developed. The method is based on the Quasi Steady State Assumption (QSSA). In contrast to previous reduction schemes where chemical species are selected only when they are in steady state throughout the whole process, the present method allows for species to be selected at each operating point separately generating an adaptive chemical kinetics. The method is used for calculations of a natural gas fueled engine operating under Homogenous Charge Compression Ignition (HCCI) conditions. We discuss criteria for selecting steady state species and the influence of these criteria on the results such as concentration profiles and temperature.

This paper focuses on the performance and efficiency of an HCCI (Homogenous Charge Compression Ignition) engine system running on natural gas or landfill gas for stationary applications. Zero dimensional modeling and simulation of the engine, turbo, inlet and exhaust manifolds and inlet air conditioner (intercooler/heater) are used to study the effect of compression ratio and exhaust turbine size on maximum mean effective pressure and efficiency. The extended Zeldovich mechanism is used to estimate NO-formation in order to determine operation limits. Detailed chemical kinetics is used to predict ignition timing. Simulation of the in-cylinder process gives a minimum λ-value of 2.4 for natural gas, regardless of compression ratio. This is restricted by the NO formation for richer mixtures. Lower compression ratios allow higher inlet pressure and hence higher load, but it also reduces indicated efficiency.

We numerically simulate a Homogeneous Charge Compression Ignition (HCCI) engine fuelled with a blend of ethanol and diethyl ether by means of a stochastic reactor model (SRM). A 1D CFD code is employed to calculate gas flow through the engine, whilst the SRM accounts for combustion and convective heat transfer. The results of our simulations are compared to experimental measurements obtained using a Caterpillar CAT3401 single-cylinder Diesel engine modified for HCCI operation. We consider emissions of CO, CO2 and unburnt hydrocarbons as functions of the crank angle at 50% heat release. In addition, we establish the dependence of ignition timing, combustion duration, and emissions on the mixture ratio of the two fuel components. Good qualitative agreement is found between our computations and the available experimental data.

Hydrogen has been proposed as a possible fuel for automotive applications. Methanol is one of the most efficient ways to store and handle hydrogen. By catalytic reformation it is possible to convert methanol into hydrogen and carbon monoxide. This paper reports an experimental investigation of Reformed Methanol Gas as Homogeneous Charge Compression Ignition (HCCI) engine fuel. The aim of the experimental study is to investigate the possibility to run an HCCI engine on a mixture of hydrogen and carbon monoxide, to study the combustion phasing, the efficiency and the formation of emissions. Reformed Methanol Gas (RMG) was found to be a possible fuel for an HCCI engine. The heat release rate was lower than with pure hydrogen but still high compared to other fuels. The interval of possible start of combustion crank angles was found to be narrow but wider than for hydrogen. The high rate of heat release limited the operating range to lean (λ>3) cases as with hydrogen.

We present a computational tool to develop an exhaust gas recirculation (EGR) - air-fuel ratio (AFR) operating range for homogeneous charge compression ignition (HCCI) engines. A single cylinder Ricardo E-6 engine running in HCCI mode, with external EGR is simulated using an improved probability density function (PDF) based engine cycle model. For a base case, the in-cylinder temperature and unburned hydrocarbon emissions predicted by the model show a satisfactory agreement with measurements [Oakley et al., SAE Paper 2001-01-3606]. Furthermore, the model is applied to develop the operating range for various combustion parameters, emissions and engine parameters with respect to the air-fuel ratio and the amount of EGR used. The model predictions agree reasonably well with the experimental results for various parameters over the entire EGR-AFR operating range thus proving the robustness of the PDF based model.

Hydrogen has been proposed as a possible fuel for automotive applications. This paper reports an experimental investigation of hydrogen as HCCI engine fuel. The aim of the experimental study is to investigate the possibility to run an HCCI engine on an extremely fast burning fuel such as hydrogen as well as to study the efficiency, the combustion phasing and the formation of emissions. The experiments were conducted on a single-cylinder research engine with a displacement volume of 1.6 litres and pancake combustion chamber geometry. Variation of lambda, engine speed, compression ratio and intake temperature were parts of the experimental setting. The engine was operated in Homogenous Charge Compression Ignition (HCCI) mode and as comparison also in Spark Ignition (SI) mode. Hydrogen was found to be a possible fuel for an HCCI engine. The heat release rate was extremely high and the interval of possible start of combustion crank angles was found to be narrow.