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Exploring and Modeling the Chemical Effect of A Exploring and Modeling the Chemical Effect of a Cetane Booster Additive in a Low- Octane Gasoline fuel Minh Duy Le, Mickaël Matrat, Arij Amara, Fabrice Foucher, Bruno Moreau, Yi Yu, Pierre-Alexandre Glaude To cite this version: Minh Duy Le, Mickaël Matrat, Arij Amara, Fabrice Foucher, Bruno Moreau, et al.. Exploring and Modeling the Chemical Effect of a Cetane Booster Additive in a Low- Octane Gasoline fuel. SAE Technical papers, SAE International, 2019, 10.4271/2019-24-0069. hal-02394139 HAL Id: hal-02394139 https://hal.archives-ouvertes.fr/hal-02394139 Submitted on 4 Dec 2019 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Exploring and Modeling the Chemical Effect of a Cetane Booster Additive in a Low- Octane Gasoline fuel Minh Duy Le, Mickael Matrat, and Arij Ben Amara IFP Energies Nouvelles Fabrice Foucher, Bruno Moreau, and Yi Yu PRISME, Université d'Orléans Pierre-Alexandre Glaude LRGP, CNRS-Université de Lorraine Abstract To replace fossil fuels, renewable energy sources such as biofuel or natural gas have been studied and used in different kind of engines [5, 6]. In the near future, taking advantage of all petroleum fractions is one Recent internal combustion (IC) engine developments focus on of the most efficient way in using petroleum fuels. In this scope, low gasoline fuel. This requires a better understanding of fuel reactivity at octane gasoline fuel is of interest. The benefits of this kind of fuel link different thermodynamic conditions. Gasoline fuel reactivity control to its low cost thanks to simple treatment in petroleum refineries. This by additives is an efficient method to get better IC engine fuel can be used in many moderns IC engines presented previously performances. 2-Ethylhexyl nitrate (EHN) promoting effect (0.1 - 1% such as SACI or GCI. mol.) on combustion has been investigated experimentally and numerically. Rapid compression machine (RCM) experiments were carried out at equivalence ratio 0.5 at 10 bar, from 675 to 995 K. The Fuel additives have been used to control the fuel reactivity in many targeted surrogate fuel is a mixture of toluene and n-heptane in order types of engines [7, 8]. EHN is a conventional additive used to enhance to capture the additive effect on both cool flame and main ignition. A the reactivity of diesel fuels. The EHN efficiency has been investigated kinetic model was developed from literature data assembly and in many types of engines operating at low temperature [9, 10]. Ghosh validated upon a large set of variations including species profiles and et al. [11], by carrying out cetane number (CN) measurements in ignition delays of pure compounds as well as mixtures. At the ignition quality tester (IQT), observed that EHN effectiveness in CN experimental conditions, it was found that the EHN reduces the boosting increases with the base fuel reactivity. In order to ignition delay time (IDT) of the surrogate fuel in the whole temperature fundamentally understand EHN effect, previous academic studies range. EHN effectiveness tends to be minimum around 705 K and investigated the EHN effect on the autoignition of gasoline fuels increases with temperature. The results also indicate that EHN effect having a different reactivity [12, 13]. These studies underline a increases nonlinearly with EHN doping levels. Numerical analyses complex promoting effect of EHN that depends on the thermodynamic conditions, the doping level and the fuel chemical composition. Since revealed that the EHN effect is linked to NO2-NO loops, which enhances fuel reactivity. The methodology proposed here enable to EHN decomposes to an alkoxy radical and NO2 at relatively low simulate the EHN effect with simple compounds rather than the full temperature [14], the chemical effect of EHN depends on both the EHN chemistry set. This strategy could simplify the consideration of derived radicals and the nitrogen chemistry. Hartmann et al. [12] and additive effect when computational fluid dynamics (CFD) simulations Goldsborough et al. [13] developed kinetic models to predict EHN are performed on engine. Finally, the study also highlights the EHN behavior in mixture with n-heptane and two reference fuels (n-heptane/ effectiveness on several thermodynamic conditions as well as iso-octane/ toluene mixtures) respectively. These modeling works equivalence ratios. The objective is to assess its performance upon reveal that two mains items need to be improved: (1) the prediction of large operating conditions which appears to be of interest with novel the base fuel reactivity and (2) the coupling of nitrogen chemistry with combustion systems targeting low temperature as well as lean hydrocarbons. Indeed, a confident prediction of base fuel reactivity is combustion. an important step to ensure a better investigation of EHN effect. Moreover, detailed mechanisms regarding nitrogen chemistry interactions with large hydrocarbons still need to be explored, Introduction especially for lean mixtures. Worldwide transport is actually powered nearly entirely by IC engines. In order to assess the effect of a nitrogen containing additive under Their contribution in this sector is expected to be still very high in the different conditions, this study aims at: (1) investigating next few decades. Novel combustion systems, such as spark assisted experimentally and numerically the EHN effect at typical dopant compression ignition (SACI) [1] or gasoline compression ignition amounts (0.1 - 1% mol.) on the autoignition behavior of a low-octane (GCI) [2] are being developed for better performances. These gasoline surrogate fuel in lean combustion; (2) understanding the combustion systems aim at increasing the engine efficiency. Their chemical effect of EHN on the fuel reactivity at different operation in lean combustion is a lever to reach this objective. This thermodynamic conditions and (3) investigating numerically EHN combustion mode operates in low temperature, which can result in low effect in various fuels, whose reactivity are different depending on the nitrogen oxides (NOx) and soot emissions. The main disadvantages of operating conditions. The employed fuel surrogate in experiments is a lean combustion are over-frequent misfire and engine instability [3]. mixture of n-heptane and toluene with a research octane number In addition, the novel combustion systems currently investigated tend (RON) of 84 which falls into a low octane gasoline range. The mixture to explore new thermodynamic conditions for the combustion of also offers the possibility to evaluate both the additive effect on high gasoline fuels. Thus, reactivity control is one of the most difficult temperature and low temperature with two stage ignitions due to a non- challenges regarding these engine developments. This task requires negligible amount of alkane. In this study, IDT were measured in a both experimental and simulations results. CFD simulations are a RCM and a detailed kinetic mechanism containing nitrogen chemistry reliable method of engine simulation [4]. This kind of simulations for fuel/EHN mixture was developed thanks to the assembly of require a simple but robust kinetic model to reduce computational cost. literature data. Page 1 of 8 Experiments 30 Main IDT 6000 The single piston RCM of PRISME laboratory was used in this study. The details of this RCM can be found elsewhere [15]. A creviced piston was employed to limit the formation of a roll-up vortex during 20 st 4000 the compression and maintain the post-compression charge 1 -stage IDT homogeneity. The main characteristics of the RCM of PRISME laboratory are summarized in the table 1. dP/dt (bar/s) dP/dt Pressure (bar)Pressure 10 2000 End of Table 1. RCM main characteristics. compression Compression time 35 ms 0 0 Time P /2 to P (t ) 4 ms max max 50 0 50 100 150 Piston acceleration/deceleration time 15/5 ms Time (ms) Crevice volume 9.94 cm3 Compression ratio 8.9; 12.9; 20.7 Figure 1. Typical pressure (blue line) and dP/dt (red line) profiles in RCM experiment. Experimental condition: surrogate fuel, Φ = 0.5, 705 K, 10 bar. Stroke, bore 300 mm, 50 mm The intake pressure was measured by a Keller PAA-33X/80794 Kinetic Modeling piezoresistive transducer. The in-cylinder pressure history was registered thanks to a piezoresistive AVL QH32C transducer. The A kinetic model was developed to simulate the EHN effect on the fuel temperatures including intake temperature and piston initial surrogate. This model contains three sub-mechanisms describing temperature were controlled by K thermocouples. The Brooks Cori- chemistry of the base fuel, of EHN and of nitrogenous molecules. The Flows M13V101 were used to regulate the mass flow rates. The sub-mechanism of the base fuel was adopted from the model of experimental uncertainties of intake pressure, in-cylinder pressure, Lawrence Livermore National Laboratory (LLNL) [16], which intake temperatures and mass flowrate are ±1 mbar, ±1%, ±2 K, ±1%, contains detailed chemistry of toluene and n-heptane. The toluene sub- respectively. mechanism was then updated following mostly the recent study of aromatic molecules by Yuan et al. [17]. The updated reactions include The high purity liquid fuels used in this study are from Sigma-Aldrich: the elementary reactions of toluene and its derived radicals and toluene (99.8%), n-heptane (99%), EHN (97%). To fulfill the desired molecules, e.g., phenyl, benzyl, methylphenyl, cresoxy radicals, gas mixture, the synthetic air (21% O2, 79% N2) and high purity phenol, cresol and small unsaturated compounds C2-C4. The nitrogen (> 99.999%) from Air Liquide are used.
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