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Modeling combustion of transportation fuels remains a difficult task due to the extremely large number of species constituting commercial gasoline and diesel. However, for this purpose, multi-component surrogate fuel models with a reduced number of key species and dedicated reaction subsets can be used to reproduce the physical and chemical traits of diesel and gasoline, also allowing to perform CFD calculations. Recently, a detailed surrogate fuel kinetic model, named C3 mechanism, was developed by merging high-fidelity sub-mechanisms from different research groups, i.e. C0-C4 chemistry (NUI Galway), linear C6-C7 and iso-octane chemistry (Lawrence Livermore National Laboratory), and monocyclic aromatic hydrocarbons (MAHs) and polycyclic aromatic hydrocarbons (PAHs) (ITV-RWTH Aachen and CRECK modelling Lab-Politecnico di Milano).

The influence of spray-wall interaction on air entrainment in an unsteady non-evaporating diesel spray was studied using laser Doppler anemometry. The spray was injected into confined quiescent air at ambient pressure and temperature and made to impact on a flat wall. The air velocity component normal to a cylindrical surface surrounding the spray was measured during the entire injection period, allowing to evaluate the time history of the entrained air mass flow rate. The influence of wall distance and spray impingement angle on air entrainment characteristics has been investigated and the results indicate that the presence of a wall increases the entrained mass flow rate in the region close to the surface, during the main injection period. Normal impingement appears to produce stronger effects than oblique incidence at 30 and 45 deg. A qualitative explanation of the results is also proposed, based on the drop-gas momentum exchange mechanism.

Aim of this work is to present and discuss the possibility and the limits of two zone models for spark-ignition engines using a detailed kinetic scheme for the characterization of the evolution of the air-fuel mixture, while an equilibrium approach is used for the burnt zone. Simple experimental measurements of knocking tendency of different fuels in ideal reactors, such as rapid compression machines and shock tube reactors, cannot be directly used for the analysis of octane numbers and sensitivity of hydrocarbon mixtures. Thus a careful investigation is very useful, not only of the combustion chamber behavior, including the modelling of the turbulent flame front propagation, but also of the fluid dynamic behavior of the intake and exhaust system, accounting for the volumetric efficiency of the engine.

Gasoline fuels are complex mixtures which consist of more than 200 different hydrocarbon species. In order to decrease the chemical and physical complexity, oxygenated surrogate components were used to enhance the fundamental understanding of partially premixed combustion (PPC). The ignition quality of a fuel is measured by octane number. There are two methods to measure the octane number: research octane number (RON) and motor octane number (MON). In this paper, RON and MON were measured for a matrix of n-heptane, isooctane, toluene, and ethanol (TERF) blends spanning a wide range of octane number between 60.6 and 97. First, regression models were created to derive RON and MON for TERF blends. The models were validated using the standard octane test for 17 TERF blends. Second, three different TERF blends with an ignition delay (ID) of 8 degrees for a specific operating condition were determined using a regression model.

PM in diesel exhaust has been given much attention due to its adverse effect on both climate and health. As the PM emission levels are tightened, the portion of particles originating from the lubrication oil is likely to increase. In this study, exhausts from a biodiesel-fueled Euro 5 engine were examined to determine how much of the carbonaceous particles that originated from the fuel and the lubrication oil, respectively. A combination of three methods was used to determine the PM origin: chain length analysis of the hydrocarbons, determination of organic and elemental carbon (OC and EC), and the concentration of 14C found in the exhausts. It was found that the standard method for measuring hydrocarbons in PM on a filter (chain length analysis) only accounted for 63 % of the OC, meaning that it did not account for all non-soot carbon in the exhausts.

The Computational Chemistry Consortium (C3) is dedicated to leading the advancement of combustion and emissions modeling. The C3 cluster combines the expertise of different groups involved in combustion research aiming to refine existing chemistry models and to develop more efficient tools for the generation of surrogate and multi-fuel mechanisms, and suitable mechanisms for CFD applications. In addition to the development of more accurate kinetic models for different components of interest in real fuel surrogates and for pollutants formation (NOx, PAH, soot), the core activity of C3 is to develop a tool capable of merging high-fidelity kinetics from different partners, resulting in a high-fidelity model for a specific application. A core mechanism forms the basis of a gasoline surrogate model containing larger components including n-heptane, iso-octane, n-dodecane, toluene and other larger hydrocarbons.

NH₃/urea SCR is a very effective and widely used technology for the abatement of NOx from diesel exhaust. The SCR mechanism is well understood and the catalyst behavior can be predicted by mathematical models - as long as operation above the temperature limit for AdBlue® injection is considered. The behavior below this level is less understood. During the first seconds up to minutes after cold start, complete NOx abatement can be observed over an SCR catalyst in test bench experiments, together with a significant increase in temperature after the converter (ca. 100 K). In this work these effects have been investigated over a monolith Cu-zeolite SCR catalyst. Concentration step experiments varying NO, NO₂ and H₂O have been carried out in lab scale, starting from room temperature. Further, the interaction of C₃H₆ and CO with NOx over the SCR has been investigated.

Stoichiometric natural gas (CNG) engines are an attractive solution for heavy-duty vehicles considering their inherent advantage in emitting lower CO2 emissions compared to their Diesel counterparts. Additionally, their aftertreatment system can be simpler and less costly as NOx reduction is handled simultaneously with CO/HC oxidation by a Three-Way Catalyst (TWC). The conversion of methane over a TWC shows a complex behavior, significantly different than non-methane hydrocarbons in stoichiometric gasoline engines. Its performance is maximized in a narrow A/F window and is strongly affected by the lean/rich cycling frequency. Experimental and simulation results indicate that lean-mode efficiency is governed by the palladium’s oxidation state while rich conversion is governed by the gradual formation of carbonaceous compounds which temporarily deactivate the active materials.