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The subject of this work is 3D numerical simulations of combustion and soot emissions for a passenger car diesel engine. The CFD code STAR-CD version 3.26 [1] is used to resolve the flowfield. Soot is modeled using a detailed kinetic soot model described by Mauss [2]. The model includes a detailed description of the formation of polyaromatic hydrocarbons. The coupling between the turbulent flowfield and the soot model is achieved through a flamelet library approach, with transport of the moments of the soot particle size distribution function as outlined by Wenzel et al. [3]. In this work we extended this approach by considering acetylene feedback between the soot model and the combustion model. The model was further improved by using new gas-phase kinetics and new fitting procedures for the flamelet soot library.

Advanced combustion concepts such as reactivity controlled compression ignition (RCCI) have been proven to be capable of fundamentally improve the conventional Diesel combustion by mitigating or avoiding the soot-NOx trade-off, while delivering comparable or better thermal efficiency. To further facilitate the development of the RCCI technology, a robust and possibly computationally efficient simulation framework is needed. While many successful studies have been published using 3D-CFD coupled with detailed combustion chemistry solvers, the maturity level of the 0D/1D based software solution offerings is relatively limited. The close interaction between physical and chemical processes challenges the development of predictive numerical tools, particularly when spatial information is not available.

Today’s car manufactures inevitably have to focus on the reduction of fuel consumption while maintaining high performance standards. In this respect, the downsized turbocharged DISI (Direct Injection Spark Ignition) engine represents an appealing solution. However, downsizing is limited because of knocking phenomena occurring at high- and full-load conditions due to autoignition of the unburned mixture ahead the flame front. A common way of reducing knock tendencies is provided by Exhaust Gas Recirculation (EGR). However, EGR modifies the chemical composition of the cylinder charge and recirculated species like nitric oxide (NO) or unburned Hydrocarbons (HC) particularly increase the reactivity of the unburned mixture. In other words, the EGR influences the Octane Number (ON) of the in-cylinder gases.

Interactions between in-cylinder combustion and emission aftertreatment need to be understood for optimizing the overall powertrain system. Numerical investigations can aid this process. For this purpose, simple and numerically fast, but still accurate models are needed for in-cylinder combustion and exhaust aftertreatment. The chemical processes must be represented in sufficient detail to predict engine power, fuel consumption, and tailpipe emission levels of NOx, soot, CO and unburned hydrocarbons. This paper reports on a new transient one-dimensional catalyst model. This model makes use of a detailed kinetic mechanism to describe the catalytic reactions. A single-channel or a set of representative channels are used in the presented approach. Each channel is discretized into a number of cells. Each cell is treated as a perfectly stirred reactor (PSR) with a thin film layer for washcoat treatment. Heat and mass transport coefficients are calculated from Nusselt and Sherwood laws.

This paper reports on a turbulent flame propagation model combined with a zero-dimensional two-zone stochastic reactor model (SRM) for efficient predictive SI in-cylinder combustion calculations. The SRM is a probability density function based model utilizing detailed chemistry, which allows for accurate knock prediction. The new model makes it possible to - in addition - study the effects of fuel chemistry on flame propagation, yielding a predictive tool for efficient SI in-cylinder calculations with all benefits of detailed kinetics. The turbulent flame propagation model is based on a recent analytically derived formula by Kolla et al. It was simplified to better suit SI engine modelling, while retaining the features allowing for general application. Parameters which could be assumed constant for a large spectrum of situations were replaced with a small number of user parameters, for which assumed default values were found to provide a good fit to a range of cases.

Water injection is a promising technology to improve the fuel efficiency of turbocharged gasoline engines due to the possibility to suppress engine knock. Additionally, this technology is believed to enable the efficient operation of the three-way catalyst also at high-load conditions, through limiting the exhaust temperature. In this numerical study, we investigate the effect of water on the chemical and thermodynamic processes using 3D computational fluid dynamics (CFD) Reynolds-averaged Navier–Stokes (RANS) with detailed chemistry. In the first step, the influence of different amounts of water vapor on ignition delay time, laminar flame speed, and heat capacity is investigated. In the second step, the impact of water vaporization is analyzed for port and direct injection. For this purpose, the water mass flow and the injection pressure are varied.

The Homogeneous Charge Compression Ignition (HCCI) is the third alternative for combustion in the reciprocating engine. Here, a homogeneous charge is used as in a spark ignited engine, but the charge is compressed to auto-ignition as in a diesel. The main difference compared with the Spark Ignition (SI) engine is the lack of flame propagation and hence the independence from turbulence. Compared with the diesel engine, HCCI has a homogeneous charge and hence no problems associated with soot and NOX formation. Earlier research on HCCI showed high efficiency and very low amounts of NOX, but HC and CO were higher than in SI mode. It was not possible to achieve high IMEP values with HCCI, the limit being 5 bar. Supercharging is one way to dramatically increase IMEP. The influence of supercharging on HCCI was therefore experimentally investigated. Three different fuels were used during the experiments: iso-octane, ethanol and natural gas.

Cycle-resolved end-gas temperatures were measured using dual-broadband rotational CARS in a single-cylinder spark-ignition engine. Simultaneous cylinder pressure measurements were used as an indicator for knock and as input data to numerical calculations. The chemical processes in the end-gas have been analysed with a detailed kinetic mechanism for mixtures of iso-octane and n-heptane at different Research Octane Numbers (RON'S). The end-gas is modelled as a homogeneous reactor that is compressed or expanded by the piston movement and the flame propagation in the cylinder. The calculated temperatures are in agreement with the temperatures evaluated from CARS measurements. It is found that calculations with different RON'S of the fuel lead to different levels of radical concentrations in the end-gas. The apperance of the first stage of the autoignition process is marginally influenced by the RON, while the ignition delay of the second stage is increased with increasing RON.

A detailed analysis of the end-gas temperature and pressure in gasoline engines has been performed. This analysis leads to a simplified zero-dimensional model, that considers both, the compression and the expansion of the end-gas by the piston movement, and the compression by the flame front. If autoignition occurs in the end-gas the sudden rise of the pressure and the heat release is calculated. The rate form of the first law of thermodynamics for a control volume combined with the mass conservation equation for an unsteady and a uniform-flow process are applied. The heat of formation in the end-gas due to the chemical activity has been taken into account. In addition, a chemical kinetic model has been applied in order to study the occurrence of autoignition and prediction of knock.

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.

The aim of this study is to see how geometry generated turbulence affects the Rate of Heat Release (ROHR) in an HCCI engine. HCCI combustion is limited in load due to high peak pressures and too fast combustion. If the speed of combustion can be decreased the load range can be extended. Therefore two different combustion chamber geometries were investigated, one with a disc shape and one with a square bowl in piston. The later one provokes squish-generated gas flow into the bowl causing turbulence. The disc shaped combustion chamber was used as a reference case. Combustion duration and ROHR were studied using heat release analysis. A Scania D12 Diesel engine, converted to port injected HCCI with ethanol was used for the experiments. An engine speed of 1200 rpm was applied throughout the tests. The effect of air/fuel ratio and combustion phasing was also studied.

The present paper shows the validation of a self tuning heat release method with no need to model heat losses, crevice losses and blow by. Using the pressure and volume traces the method estimates the polytropic exponents (before, during and after the combustion event), by the use of the emission values and amount of fuel injected per cycle the algorithm calculates the total heat release. These four inputs are subsequently used for computing the heat release trace. The result is a user independent algorithm which results in more objective comparisons among operating points and different engines. In the present paper the heat release calculated with this novel method has been compared with the one computed using the Woschni correlation for modeling the heat transfer. The comparison has been made using different fuels (PRF0, PRF80, ethanol and iso-octane) making sweeps in relative air-fuel ratio, engine speed, EGR and CA 50.

In one-dimensional engine simulation programs the simulation of engine performance is mostly done by parameter fitting in order to match simulations with experimental data. The extensive fitting procedure is especially needed for emissions formation - CO, HC, NO, soot - simulations. An alternative to this approach is, to calculate the emissions based on detailed kinetic models. This however demands that the in-cylinder combustion-flow interaction can be modeled accurately, and that the CPU time needed for the model is still acceptable. PDF based stochastic reactor models offer one possible solution. They usually introduce only one (time dependent) parameter - the mixing time - to model the influence of flow on the chemistry. They offer the prediction of the heat release, together with all emission formation, if the optimum mixing time is given.

A transient interactive flamelet model and a transient flamelet library based model are used to model a medium-duty diesel fueled engine operating in PCCI mode. The simulations are performed with and without the source term accounting for evaporation in the mixture fraction variance equation. Reasonable agreement is found with the experiments with both models. The effect of the evaporation source term in the mixture fraction variance equation is different for the different transient flamelet approaches. For the transient interactive flamelet model the ignition onset is delayed as a consequence of the higher mixture fraction variance, which leads to a higher scalar dissipation rate. The evaporation source term does not affect the global characteristics of the ignition event for the transient flamelet progress variable model, but locally the initial combustion is occurring differently.

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.

To reach the EPA ‘10 and Euro VI strict regulations of PM and NOx for heavy duty trucks it will be necessary to apply integrated catalytic solutions for removal of both PM and NOx. The described system consists of an alternative catalytic configuration where the SCR catalyst is placed downstream of the diesel engine followed by diesel injection over an oxidation catalyst (DOC) and a catalysed diesel particulate filter (cDPF). One of the advantages of this system configuration is that the SCR catalyst in this way is protected from high temperatures during filter regeneration and that the SCR catalyst has the fastest heat up required for good performance in cold test cycles. The SCR catalyst can therefore be of a standard V-based type that is already proven technology for Euro IV and Euro V compliance in Europe. Another advantage is that the DOC and cDPF act as clean-up catalysts for any possible ammonia slip from the SCR catalyst.

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.

An investigation on reducing the set of modeling parameters for engine cycle simulation is presented. The investigation considers a detailed kinetic model for combustion and emissions predictions coupled to a complete cycle simulation tool applied to a modern Diesel engine. The analysis is based on a previously developed method that combines a 1-D gas dynamics model with a stochastic reactor model for direct injection engines (SRM-DI). Initially, the global and instantaneous performance parameters of a Diesel engine were simulated at different operating conditions. The model was validated and the simulated results were compared to experimental data to assess the quality of the model. Afterwards, the influence of the chosen modeling parameters on engine performance, such as in-cylinder pressure, emissions and global performances, were analyzed. The mixing time proved to be the most important modeling parameter for the stochastic reactor model.

To reach the very strict Euro VI regulations of PM and NOx for heavy-duty trucks, it will be necessary to apply integrated catalytic solutions for removal of both PM and NOx. The most cost-effective solution would be to base the Euro VI system on Euro IV/V base engines, without EGR, and apply a high efficiency aftertreatment system, able to reduce the NOx from the common 7-8 g/kWh down to the Euro VI level at 0.4 g/kWh. The described system consists of a catalytic configuration, where the SCR catalyst is placed directly downstream of the diesel engine followed by an ammonia slip catalyst (ASC) and diesel injection over an oxidation catalyst (DOC) and a catalyzed diesel particulate filter (cDPF).