Abstract

2-butanone (methyl ethyl ketone) is a recently identified high-octane, next-generation biofuel candidate, synthesized through microbiological pathways from biomass. Its high octane number (RON = 117), low boiling point (80 °C), and relatively high vapor pressure (10.8 kPa at 20 °C) make 2-butanone a potentially good candidate for use in spark-ignition engines. The flame structure and species formed in 2-butanone combustion are of interest when further considering this compound for use as a fuel. To this end, the present study has, for the first time, quantitatively measured species profiles within a fuel-rich (ϕ = 1.6) laminar premixed flat flame of 2-butanone. Two experiments which used different facilities and measurement techniques were combined to provide a cross comparison of the measured species. One experiment was performed using electron ionization (EI) molecular-beam mass spectrometry (MBMS), and the second relied on synchrotron-generated vacuum ultraviolet (VUV) photoionization (PI) MBMS. Quantitative mole fraction profiles for about 45 species were obtained from the two independent experiments that are found to be in good agreement. The experiments have identified the formation of a number of toxic oxygenated intermediates, such as methyl vinyl ketone (MVK), acetaldehyde, and formaldehyde. In addition, the measurements have also provided quantitative species profiles for a number of soot precursor species, the concentrations of which are notably low.
These measurements provide useful validation targets for the further development of detailed chemical kinetic models. As a first test, an existing 2-butanone model was examined against the experimental data with the main aim to identify elements of the model that may need improvement.

Abstract

Today numerical models are a major part of the diesel engine development. They are applied during several stages of the development process to perform extensive parameter studies and to investigate flow and combustion phenomena in detail. The models are divided by complexity and computational costs since one has to decide what the best choice for the task is. 0D models are suitable for problems with large parameter spaces and multiple operating points, e.g. engine map simulation and parameter sweeps. Therefore, it is necessary to incorporate physical models to improve the predictive capability of these models.This work focuses on turbulence and mixing modeling within a 0D direct injection stochastic reactor model. The model is based on a probability density function approach and incorporates submodels for direct fuel injection, vaporization, heat transfer, turbulent mixing and detailed chemistry. The advantage of the probability density function approach compared to mean value models is its capability to account for temperature and mixture inhomogeneities. Therefore, notional particles are introduced each with its own temperature and composition. The particle condition is changed by mixing, injection, vaporization, chemical reaction and heat transfer. Mixing is modeled using the one-dimensional Euclidean minimum spanning tree mixing model, which requires the scalar mixing frequency as input. Therefore, a turbulence model is proposed to calculate the mixing time depending on turbulent kinetic energy and its dissipation. The turbulence model accounts for density, swirl, squish and injection effects on turbulent kinetic energy within the combustion chamber. Finally, the 0D stochastic reactor model is tested for 40 different operating points distributed over the whole engine map. The results show a close match of experimental heat release rate and NOx emissions. The trends of measured CO and HC concentrations are captured qualitatively. Additionally, the 0D simulation results are compared to more detailed 3D CFD combustion simulation results for three operating points differing in engine speed and load. The comparison shows that the 0D stochastic reactor model is able to capture turbulence effects on local temperature and mixture distribution, which in turn affect NOx, CO and HC emission formation. Overall, the 0D stochastic reactor model has proven its predictive capability for the investigated diesel engine and can be assigned to tasks concerning engine map simulation and parameter sweeps.

Abstract

A novel 0-D Probability Density Function (PDF) based approach for the modelling of Diesel combustion using tabulated chemistry is presented. The Direct Injection Stochastic Reactor Model (DI-SRM) by Pasternak et al. has been extended with a progress variable based framework allowing the use of a pre-calculated auto-ignition table. Auto-ignition is tabulated through adiabatic constant pressure reactor calculations. The tabulated chemistry based implementation has been assessed against the previously presented DI-SRM version by Pasternak et al. where chemical reactions are solved online. The chemical mechanism used in this work for both, online chemistry run and table generation, is an extended version of the scheme presented by Nawdial et al. The main fuel species are n-decane, α-methylnaphthalene and methyl-decanoate giving a size of 463 species and 7600 reactions. A single-injection part-load heavy-duty Diesel engine case with 28 % EGR fueled with regular Diesel is investigated with both tabulated and online chemistry. Comparisons between the two approaches are presented by means of overall engine performance and engine-out emission predictions and in equivalence ratio-temperature space. The new implementation delivers reasonably good agreement with the online chemistry one. The methodology presented in this paper allows for the use of detailed chemistry in the DI-SRM with high computational efficiency and thus facilitates the use of the DI-SRM in the engine development process.

Abstract

Engine knock is an important phenomenon that needs consideration in the development of gasoline fueled engines. In our days, this development is supported by the use of numerical simulation tools to further understand and subsequently predict in-cylinder processes. In this work, a model tool chain based on detailed chemical and physical models is proposed to predict the auto-ignition behavior of fuels with different octane ratings and to evaluate the transition from harmless auto-ignitive deflagration to knocking combustion. In our method, the auto-ignition and emissions are calculated based on a new reaction scheme for mixtures of iso-octane, n-heptane, toluene and ethanol (Ethanol consisting Toluene Reference Fuel, ETRF). The reaction scheme is validated for a wide range of mixtures and every desired mixture of the four fuel components can be applied in the engine simulation. The engine simulations are carried out with a quasi-dimensional stochastic reactor model that allows studying cycle-to-cycle variations. A novel post-processing strategy based on the detonation theory by Bradley et al. (2012) is developed to evaluate the character and the severity of the auto-ignition event for stochastic engine models. This theory has been successfully applied to three-dimensional computational fluid dynamics simulations before by other groups (Bates et al. 2016, Robert et al. 2015). For the discussed approach, the theory is in this paper transferred to a quasi-dimensional stochastic internal combustion engine model. We suggest to use the variance of the auto-ignition severity to characterize the harmfulness of knocking operating conditions. By using the suggested tool chain, the knock limit can be predicted close to experimental findings. Fuel properties such as octane ratings can be studied. The transition from harmless deflagration to knocking combustion can be pictured, further investigated and the severity of the auto-ignition event evaluated.

Abstract

Large two-stroke marine Diesel engines have special injector geometries, which differ substantially from the configurations used in most other Diesel engine applications. One of the major differences is that injector orifices are distributed in a highly non-symmetric fashion affecting the spray characteristics. Earlier investigations demonstrated the dependency of the spray morphology on the location of the spray orifice and therefore on the resulting flow conditions at the nozzle tip. Thus, spray structure is directly influenced by the flow formation within the orifice. Following recent Large Eddy Simulation resolved spray primary breakup studies, the present paper focuses on spray secondary breakup modelling of asymmetric spray structures in Euler-Lagrangian framework based on previously obtained droplet distributions of primary breakup. Firstly, the derived droplet distributions were assigned via user coding to RANS 3D-CFD simulation of nozzle bore geometries having 0.0, 0.4 and 0.8 normalized eccentricities. Spray secondary breakup then calculated by using the KH-RT breakup model. The simulations compared to a widely used industrial methodology and validated against experimental measurements performed in a unique Spray Combustion Chamber. Furthermore, effects of nozzle eccentricity were assessed under non-reactive and reactive conditions using a computationally efficient combustion solver. The methodology was found to be promising for future implementation of droplet mapping techniques under marine diesel engine conditions.

Abstract

The three-way catalytic converter (TWC) is the most common catalyst for gasoline engine exhaust gas after treatment. The reduction of carbon monoxide (CO), nitrogen oxides (NOx) and unburned hydrocarbons (HC) is achieved via oxidation of carbon monoxide and hydrocarbons, and reduction of nitrogen oxides. These conversion effects were simulated in previous works using single-channel approaches and detailed kinetic models. In addition to the single-channel model multiple representative catalyst channels are used in this work to take heat transfer between the channels into account. Furthermore, inlet temperature distribution is considered. Each channel is split into a user given number of cells and each cell is treated like a perfectly stirred reactor (PSR). The simulation is validated against an experimental four-stroke engine setup with emission outputs fed into a TWC. Next to the transient emissions the temperature progress is simulated in order to model the catalyst’s light off temperature. The heat conduction between the channels is modeled to provide proper heat dissipation during the catalytic process. The simulation results show a good agreement to the experimental data with low computational cost.

Abstract

In this work we apply a sequence of concepts for mechanism reduction on one reaction mechanism including novel quality control. We introduce a moment based accuracy rating method for species profiles. The concept is used for a necessity based mechanism reduction utilizing 0D reactors. Thereafter a stochastic reactor model (SRM) for internal combustion engines is applied to control the quality of the reduced reaction mechanism during the expansion phase of the engine. This phase is sensitive on engine out emissions, and is often not considered in mechanism reduction work. The proposed process allows to compile highly reduced reaction schemes for CFD application for internal combustion engine simulations. It is demonstrated that the resulting reduced mechanisms predict combustion and emission formation in engines with accuracies comparable to the original detailed scheme.

Abstract

Several models for ignition, combustion and emission formation under diesel engine conditions for multi-dimensional computational fluid dynamics have been proposed in the past. It has been recognized that the use of a reasonably detailed chemistry model improves the combustion and emission prediction especially under low temperature and high exhaust gas recirculation conditions. The coupling of the combustion chemistry and the turbulent flow can be achieved with different assumptions. In this paper we investigate a selection of n-heptane spray experiments published by the Engine Combustion Network (ECN spray H) with three different combustion models: well-stirred reactor model, transient interactive flamelet model and progress variable based conditional moment closure. All models cater for the use of detailed chemistry, while the turbulence-chemistry interaction modeling and the ability to consider local effects differ. The same chemical mechanism is used by all combustion models, which allows a comparison of ignition delay, flame stabilization and flame lift-off length between the experiments and the results from simulations using the different combustion models. The investigated parameters influence the predictions of computational fluid dynamics simulations of diesel engines. This study indicates that the most reasonable behavior with respect to ignition, flame stabilization and flame structure is predicted by the progress variable based conditional moment closure model.

Abstract

Stringent exhaust emission limits and new vehicle test cycles require sophisticated operating strategies for future diesel engines. Therefore, a methodology for predictive combustion simulation, focused on multiple injection operating points is proposed in this paper. The model is designated for engine performance map simulations, to improve prediction of NOx, CO and HC emissions. The combustion process is calculated using a zero dimensional direct injection stochastic reactor model based on a probability density function approach. Further, the formation of exhaust emissions is described using a detailed reaction mechanism for n-heptane, which involves 56 Species and 206 reactions. The model includes the interaction between turbulence and chemistry effects by using a variable mixing time profile. Thus, one is able to capture the effects of mixture inhomogeneities on NOx, CO and HC emission formation. The mixing time model is parameterized using transfer functions for engine operating parameters, e.g., injection mass, injection duration, air fuel ratio, start of injection and speed. These functions are calibrated for nine operating points using multi objective simulated annealing optimization combined with fast running metamodels that speed up the optimization process. The calibrated transfer functions are validated for nine additional operating points. The results for the calibration and validation points show a good match of the combustion heat release rate. Especially the main injection heat release rate is well predicted by the model. The NOx and CO emissions reflect the experimental trends and are in close range to the measurements. Finally, the model is tested for triple injection operating points. The results match the measurements, which show the applicability of the stochastic reactor model in conjunction with the mixing time transfer functions for engine performance map simulations.

Abstract

Methanol is today considered a viable green fuel for combustion engines because of its low soot emissions and the possibility of it being produced in a CO2-neutral manner. Methanol as a fuel for combustion engines have attracted interest throughout history and much research was conducted during the oil crisis in the seventies. In the beginning of the eighties the oil prices began to decrease and interest in methanol declined. This paper presents the emission potential of methanol. T-Φ maps were constructed using a 0-D reactor with constant pressure, temperature and equivalence ratio to show the emission characteristics of methanol. These maps were compared with equivalent maps for diesel fuel. The maps were then complemented with engine simulations using a stochastic reactor model (SRM), which predicts end-gas emissions. The SRM was validated using experimental results from a truck engine running in Partially Premixed Combustion (PPC) mode at medium loads. The SRM was able to predict the combustion in terms of pressure trace and rate of heat release. The CO and NOx emissions were matched, however, the HC emissions were underestimated. Finally, the trajectories from the SRM simulations were superimposed on the T-Φ maps to investigate the in engine conditions. The T-Φ map analysis shows that emission of soot are non-existent, formaldehyde can be avoided and that emissions of methane are kept at, compared to diesel combustion, low levels, however CO and NOx levels are similar to diesel combustion. These results were confirmed for engine conditions by the SRM simulations and the engine experiments.

Abstract

In this work we apply a sequence of concepts for mechanism reduction on one reaction mechanism including novel quality control. We introduce a moment based accuracy rating method for species profiles. The concept is used for a necessity based mechanism reduction utilizing 0D reactors. Thereafter a stochastic reactor model (SRM) for internal combustion engines is applied to control the quality of the reduced reaction mechanism during the expansion phase of the engine. This phase is sensitive on engine out emissions, and is often not considered in mechanism reduction work. The proposed process allows to compile highly reduced reaction schemes for CFD application for internal combustion engine simulations. It is demonstrated that the resulting reduced mechanisms predict combustion and emission formation in engines with accuracies comparable to the original detailed scheme.

Abstract

A simulation method is presented for the analysis of combustion in spark ignition (SI) engines operated at elevated exhaust gas recirculation (EGR) level and employing multiple spark plug technology. The modeling is based on a zero-dimensional (0D) stochastic reactor model for SI engines (SI-SRM). The model is built on a probability density function (PDF) approach for turbulent reactive flows that enables for detailed chemistry consideration. Calculations were carried out for one, two, and three spark plugs. Capability of the SI-SRM to simulate engines with multiple spark plug (multiple ignitions) systems has been verified by comparison to the results from a three-dimensional (3D) computational fluid dynamics (CFD) model. Numerical simulations were carried for part load operating points with 12.5%, 20%, and 25% of EGR. At high load, the engine was operated at knock limit with 0%, and 20% of EGR and different inlet valve closure timing. The quasi-3D treatment of combustion chamber geometry and the spherical flame propagation by the 0D SI-SRM enabled for estimating the impact of number of spark plugs on the combustion progress and the risk of knock occurrence. Application of three spark plugs shortened significantly the combustion process. When the engine was operated at knock limit and with 20% EGR, combustion duration was similar to that of engine operation without EGR and with one spark plug. Overall, the results presented demonstrate that this method has the potential to support early stages of engine development with limited experimental data available.

Abstract

In this work a soot source term tabulation strategy for soot predictions under Diesel engine conditions within the zero-dimensional Direct Injection Stochastic Reactor Model (DI-SRM) framework is presented. The DI-SRM accounts for detailed chemistry, in-homogeneities in the combustion chamber and turbulence-chemistry interactions. The existing implementation [1] was extended with a framework facilitating the use of tabulated soot source terms. The implementation allows now for using soot source terms provided by an online chemistry calculation, and for the use of a pre-calculated flamelet soot source term library. Diesel engine calculations were performed using the same detailed kinetic soot model in both configurations. The chemical mechanism for n-heptane used in this work is taken from Zeuch et al. [2] and consists of 121 species and 973 reactions including PAH and thermal NO chemistry. The engine case presented in [1] is used also for this work. The case is a single-injection part-load passenger car Diesel engine with 27 % EGR fueled with regular Diesel fuel. The two different approaches are analyzed and a detailed comparison is presented for the different soot processes globally and in the mixture fraction space. The contribution of the work presented in this paper is that a method which allows for a direct comparison of soot source terms - calculated online or retrieved from a flamelet table - without any change in the simulation setup has been developed within the SRM framework. It is a unique tool for model development. Our analysis supports our previous conclusion [1] that flamelet soot source terms libraries can be used for multi-dimensional modeling of soot formation in Diesel engines.

Abstract

In this work are presented experimental and simulated data from a one-cylinder direct injected Diesel engine fuelled with Diesel, two different biodiesel blends and pure biodiesel at one engine operating point. The modeling approach focuses on testing and rating biodiesel surrogate fuel blends by means of combustion and emission behavior. Detailed kinetic mechanisms are adopted to evaluate the fuel-blends performances under both reactor and diesel engine conditions. In the first part of the paper, the experimental engine setup is presented. Thereafter the choice of the surrogate fuel blends, consisting of n-decane, α-methyl-naphtalene and methyl-decanoate, are verified by the help of experiments from the literature. The direct injection stochastic reactor model (DI-SRM) is employed to simulate combustion and engine exhaust emissions (NOx, HC, CO and CO2), which are compared to the experimental data. For this the mixing time is used as main modeled parameter, which is deduced from regular Diesel experiments. The investigation shows that the considered modeling approach can be used to simulate Diesel engine performance and compare the quality of biodiesel blends.

Abstract

The relatively new combustion concept known as partially premixed combustion (PPC) has high efficiency and low emissions. However, there are still challenges when it comes to fully understanding and implementing PPC. Thus a predictive combustion tool was used to gain further insight into the combustion process in late cycle mixing. The modeling tool is a stochastic reactor model (SRM) based on probability density functions (PDF). The model requires less computational time than a similar study using computational fluid dynamics (CFD). A novel approach with a two-zone SRM was used to capture the behavior of the partially premixed or stratified zones prior to ignition. This study focuses on PPC mixing conditions and the use of an efficient analysis approach. It was done in three steps: a validation of the two-zone SRM against CFD and experimental data, a parametric study using a design of experiment (DOE) approach to late cycle mixing conditions, and analyses of fuel mass distribution with time-resolved probability density functions (TPDF). Results from the investigation show that the two-zone SRM is suitable for prediction of the PPC conditions and is able to run simulations at an average of 25 min/cycle. The findings of the parametric study showed, that a higher mixing intensity is preferable to longer mixing duration before the start of combustion as it decreases pressure rise rate without penalizing combustion efficiency. The TPDF plots offer a good alternative when presenting mixture fraction distributions. However, they may be more suited to smaller amounts of data than are presented in this investigation.

Abstract

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. The convective heat transfer in the engine cylinder is modeled as a stochastic jump process and accounts for the fluctuations and fluid-wall interaction effects. Curl's coalescence-dispersion model is used to describe turbulent mixing. A good agreement is observed between the predicted values and measurements for in-cylinder pressure, auto-ignition timing and CO, HC as well as NOx emissions for the base case. The advanced PDF-based engine cycle simulator clearly outperforms the widely used homogeneous model based full cycle engine simulator. The trends in combustion characteristics such as ignition crank angle degree and combustion duration with respect to varying octane numbers are predicted well as compared to measurements. The integrated model provides reliable predictions for in-cylinder temperature, CO, HC as well as NOx emissions over a wide range of octane numbers studied.

Abstract

A stochastic model based on a probability density function (PDF) approach was developed for the investigation of spark ignition (SI) engine knock conditions. The model is based on a two zone model, where the burned and unburned gases are described as stochastic reactors, and the movement of the turbulent flame front is expressed with a Wiebe function. Using a stochastic particle ensemble to represent the PDF of the scalar variables associated with the burned and unburned gases, allows the consideration of inhomogeneities in gas composition and temperature, as well as turbulence mixing effects. The turbulent mixing is described with the interaction by exchange with the mean model. A stochastic jump process is used for modeling the heat transfer, hence accounting for the temperature fluctuations and the fluid wall interaction. Detailed chemistry is used in the calculations. A parameter study investigates the effects of end gas inhomogeneities related to residual gas composition and temperature, on the autoignition process.

Abstract

A stochastic model based on a probability density function (PDF) was developed for the investigation of different conditions that determine knock in spark ignition (SI) engine, with focus on the turbulent mixing. The model used is based on a two-zone approach, where the burned and unburned gases are described as stochastic reactors. By using a stochastic ensemble to represent the PDF of the scalar variables associated with the burned and the unburned gases it is possible to investigate phenomena that are neglected by the regular existing models (as gas non-uniformity, turbulence mixing, or the variable gas-wall interaction). Two mixing models are implemented for describing the turbulent mixing: the deterministic interaction by exchange with the mean (IEM) model and the stochastic coalescence/ dispersal (C/D) model. Also, a stochastic jump process is employed for modeling the irregularities in the heat transfer. Parameter studies are carried out in order to assess the influence of the turbulence intensity and of the fluctuations in the gas - wall interactions.

Abstract

For the simultaneous evaluation of the influence on engine knock of both chemical conditions and global operating parameters, a combined tool was developed. Thus, a two-zone kinetic model for SI engine combustion calculation (Ignition) was implemented into an engine cycle simulation commercial code. The combined model predictions are compared with experimental data from a single-cylinder test engine. This shows that the model can accurately predict the knock onset and in-cylinder pressure and temperature for different lambda conditions, with and without EGR. The influence of nitric oxide amount from residual gas in relation with knock is further investigated. The created numerical tool represents a useful support for experimental measurements, reducing the number of tests required to assess the proper engine control strategies.

Abstract

In this work, constant volume combustion is studied using a zero-dimensional FORTRAN code, which is a wide-ranging chemical kinetic simulation that allows a closed system of gases to be described on the basis of a set of initial conditions. The model provides an engine- or reactor-like environment in which the engine simulations allow for a variable system volume and heat transfer both to and from the system. The combustion chamber is divided into two zones as burned and unburned ones, which are separated by an assumed thin flame front in the combustion model used for this work. Equilibrium assumptions have been adopted for the modeling of the thermal ionization, where Saha's equation was derived for singly ionized molecules. The investigation is focused on the thermal ionization of NO as well as for other species. The outputs generated by the model are temperature profiles, species concentration profiles, ionization degree and an electron density for each zone. The model can also predict the pressure cycle and the ion current. The results from the simulation show good agreement with the experimental measurements and literature data, respectively.

Abstract

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.

Abstract

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 modelling 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. Given indicated mean effective pressure, IMEP and a fixed friction, FMEP the best brake efficiency was attained at compression ratios of 15:1 to 17:1, according to the simulations.

Full system simulation using three different turbines, showed that the required inlet pressure could not be reached. At these low loads a high compression ratio enables lower inlet temperature. This provides higher mass flow and hence power output. The higher compression ratio also increases the indicated and brake efficiency. Very small turbines or advanced turbocharging technologies seem necessary in order to give acceptable specific power and brake efficiency.

Abstract

Full cycle simulations of a spark ignition engine running on a primary reference fuel have been performed using a two-zone model. A detailed kinetic mechanism is taken into account in each of the zones, while the propagating flame front is calculated from a Wiebe function. The initial conditions for the unburned gas zone were calculated as a mixture of fresh gas and rest gas. The composition of the burned gas zone at the end of the last engine cycle, including nitric oxide emissions, was taken as rest gas.

The simulations confirm that the occurrence of autoignition in the end gas is sensitive on the amount of nitric oxide in the rest gas of the spark ignition engine. The comparison of autoignition timings calculated for a single cylinder test engine are getting more accurate if the nitric oxide in the initial gases is taken into account.

Abstract

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. Results reported here clearly demonstrate the ability of a thermo-kinetic, single-zone model to capture the fuel composition effects seen in the experiments. The uncertainty that exists in both the experiment and simulation is discussed in light of the model predictions. This uncertainty is used to quantify what reasonable level of accuracy can be expected between a model and experiment under HCCI operation. Finally, the simulation has been further exercised to compute the sensitivity of ignition timing to changes in hydrocarbon composition outside what has been experimentally tested.

Abstract

A method for automatic reduction of detailed reaction mechanisms using simultaneous sensitivity, reaction flow and lifetime analysis has been developed and applied to a two-zone model of an SI engine fuelled with Primary Reference Fuel (PRF). Species which are less relevant for the occurrence of autoignition in the end gas are declared redundant. They are identified and eliminated for different pre-set minimum levels of reaction flow and sensitivity. The resulting skeletal mechanism is valid in the ranges of initial and boundary values for which the analyses have been performed. A measure of species lifetime is calculated from the chemical source terms, and the species with the lifetime shorter than and mass-fraction less than specified limits are selected for removal. These are assumed to be in steady state, and their concentrations are modeled by means of algebraic equations that are automatically implemented in FORTRAN subroutines computing the steady-state concentrations by internal iteration. The detailed mechanism is reduced to 19 species, limited by the number of fuels, oxygen, products and stable intermediates. It is found that the error in autoignition time is less than 1 CAD down to 19 species. The error increases monotonously with the increase of the pre-set limits defining the level of reduction. To estimate the overall effect of reduction, sensitivities of selected species on temperature are calculated.

Abstract

This paper reports an one–dimensional modeling procedure of the hot spot autoignition with a detailed chemistry and multi–species transport in the end gas in an SI engine. The governing equations for continuity of mass, momentum, energy and species for an one–dimensional, unsteady, compressible, laminar, reacting flow and thermal fields are discretized and solved by a fully implicit method. A chemical kinetic mechanism is used for the primary reference fuels n –heptane and iso –octane. This mechanism contains 510 chemical reactions and 75 species. The change of the cylinder pressure is calculated from both flame propagation and piston movement. The turbulent velocity of the propagating flame is modeled by the Wiebe function. Adiabatic conditions, calculated by minimizing Gibb's free energy at each time step, are assumed behind the flame front in the burned gas. The hot spot autoignition is presented and the ignition history is discussed as variations of the calculated temperature and species in space and time. Different sample calculations have been performed, in order to allow investigation of the effect of inhomogeneities of the initial temperature and species on the autoignition in an SI engine.