Design of synthetic EGR and simulation study of the effect of simplified formulations on the ignition delay of isooctane and n-heptane

Abstract A method to create synthetic mixtures that simulate the Exhaust Gas Recirculation (EGR) of an internal combustion engine, using O 2 , N 2 , CO 2 , H 2 O and Ar, has been designed. Different simplifications of this synthetic EGR have been validated in order to reproduce ignition delays. To do this, a parametric study has been carried out with CHEMKIN. The ignition delay of each simplified mixture and the ignition delay of the complete mixture have been simulated for different initial pressures, temperatures, equivalence ratios, oxygen mass fractions and for two different fuels, isooctane and n-heptane. The results obtained with each simplification have been compared with the results obtained with the complete EGR, and based on this comparison the errors in ignition delay have been calculated. The behavior of the errors in ignition delay with the variation of the different parameters of the simulations has been studied. In summary, it can be seen that the relative error increases with temperature and decreases with pressure, equivalence ratio and oxygen mass fraction. Finally, the limit oxygen mass fractions for the use of each simplification have been obtained. Based on these results, it can be concluded that the only gas that can be obviated to keep the error in ignition delay under 1% is Ar.

[1]  John E. Dec,et al.  A Computational Study of the Effects of Low Fuel Loading and EGR on Heat Release Rates and Combustion Limits in HCCI Engines , 2002 .

[2]  Dennis N. Assanis,et al.  Modeling HCCI Combustion With High Levels of Residual Gas Fraction - A Comparison of Two VVA Strategies , 2003 .

[3]  E. Mastorakos Ignition of turbulent non-premixed flames , 2009 .

[4]  R. Reitz,et al.  Development and Validation of a Reduced Reaction Mechanism for HCCI Engine Simulations , 2004 .

[5]  Pau Redón Lurbe Modeling of the nitrogen oxides formation process applicable to several diesel combustion modes , 2013 .

[6]  John E. Dec,et al.  Effects of EGR and its constituents on HCCI autoignition of ethanol , 2011 .

[7]  Wei Chen,et al.  A fundamental study on the control of the HCCI combustion and emissions by fuel design concept combined with controllable EGR. Part 1. The basic characteristics of HCCI combustion , 2005 .

[8]  Jerald A. Caton,et al.  Use of a single-zone thermodynamic model with detailed chemistry to study a natural gas fueled homogeneous charge compression ignition engine , 2012 .

[9]  John E. Dec,et al.  An investigation into lowest acceptable combustion temperatures for hydrocarbon fuels in HCCI engines , 2005 .

[10]  P. Dagaut,et al.  Experimental and kinetic modeling study of the oxidation of n-propylbenzene , 2002 .

[11]  William J. Pitz,et al.  Oxidation of automotive primary reference fuels at elevated pressures , 1999 .

[12]  C. Westbrook,et al.  A Comprehensive Modeling Study of iso-Octane Oxidation , 2002 .

[13]  N. Peters,et al.  Laminar burning velocities at high pressure for primary reference fuels and gasoline: Experimental and numerical investigation , 2009 .

[14]  Chih-Jen Sung,et al.  Autoignition of gasoline and its surrogates in a rapid compression machine , 2013 .

[15]  Hua Zhao,et al.  Understanding the Effects of Recycled Burnt Gases on the Controlled Autoignition (CAI) Combustion in Four-Stroke Gasoline Engines , 2001 .

[16]  William J. Pitz,et al.  An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures , 2014 .

[17]  Hua Zhao,et al.  The Dilution, Chemical, and Thermal Effects of Exhaust Gas Recirculation on Diesel Engine Emissions - Part 1: Effect of Reducing Inlet Charge Oxygen , 1996 .

[18]  Marcos Chaos,et al.  Dimethyl Ether Autoignition in a Rapid Compression Machine: Experiments and Chemical Kinetic Modeling , 2008 .

[19]  U. Asad,et al.  Exhaust gas recirculation – Zero dimensional modelling and characterization for transient diesel combustion control , 2014 .

[20]  Hua Zhao,et al.  The Dilution, Chemical, and Thermal Effects of Exhaust Gas Recirculation on Diesel Engine Emissions - Part 3: Effects of Water Vapour , 1996 .

[21]  Tie Li,et al.  Thermodynamic analysis of EGR effects on the first and second law efficiencies of a boosted spark-ignited direct-injection gasoline engine , 2013 .

[22]  Hatim Machrafi,et al.  Experimental validation of a kinetic multi-component mechanism in a wide HCCI engine operating range for mixtures of n-heptane, iso-octane and toluene: Influence of EGR parameters , 2008 .

[23]  C. Naumann,et al.  Shock Tube Study of the Influence of NOx on the Ignition Delay Times of Natural Gas at High Pressure , 2012 .

[24]  N Ladommatos,et al.  The dilution, chemical, and thermal effects of exhaust gas recirculation on diesel engine emissions-part 2: Effects of carbon dioxide , 1996 .

[25]  J. Andrae,et al.  Development of a detailed kinetic model for gasoline surrogate fuels , 2008 .

[26]  Peter Glarborg,et al.  Chemical Effects of a High CO2 Concentration in Oxy-Fuel Combustion of Methane , 2008 .

[27]  Margaret S. Wooldridge,et al.  Effects of buffer gas composition on autoignition , 2014 .

[28]  John E. Dec,et al.  Thermodynamic and Chemical Effects of EGR and Its Constituents on HCCI Autoignition. , 2007 .

[29]  John B. Heywood,et al.  Internal combustion engine fundamentals , 1988 .

[30]  C. Westbrook,et al.  A Comprehensive Modeling Study of n-Heptane Oxidation , 1998 .

[31]  B. Weber,et al.  Autoignition of n-butanol at elevated pressure and low-to-intermediate temperature , 2011, 1706.00867.

[32]  M. D. Checkel,et al.  The influence of Exhaust Gas Recirculation (EGR) on combustion and emissions of n-heptane/natural gas fueled Homogeneous Charge Compression Ignition (HCCI) engines , 2011 .

[33]  Tiziano Faravelli,et al.  Kinetic modeling of the interactions between NO and hydrocarbons at high temperature , 2003 .

[34]  M. Ribaucour,et al.  Comparison of oxidation and autoignition of the two primary reference fuels by rapid compression , 1996 .

[35]  C. Law,et al.  Effects of buffer gas composition on low temperature ignition of iso-octane and n-heptane , 2014 .

[36]  Philippe Dagaut,et al.  Kinetics of Natural Gas, Natural Gas/Syngas Mixtures Oxidation and Effect of Burnt Gas Recirculation: Experimental and Detailed Modeling , 2007 .

[37]  F. Battin‐Leclerc,et al.  Influence of EGR compounds on the oxidation of an HCCI-diesel surrogate , 2009, 0903.3707.

[38]  Hua Zhao,et al.  The Dilution, Chemical, and Thermal Effects of Exhaust Gas Recirculation on Disesel Engine Emissions - Part 4: Effects of Carbon Dioxide and Water Vapour , 1997 .

[39]  Wei Chen,et al.  A fundamental study on the control of the HCCI combustion and emissions by fuel design concept combined with controllable EGR. Part 2. Effect of operating conditions and EGR on HCCI combustion , 2005 .

[40]  Zhen Huang,et al.  Experimental study on the auto-ignition and combustion characteristics in the homogeneous charge compression ignition (HCCI) combustion operation with ethanol/n-heptane blend fuels by port injection , 2006 .

[41]  John E. Dec,et al.  Isolating the Effects of Fuel Chemistry on Combustion Phasing in an HCCI Engine and the Potential of Fuel Stratification for Ignition Control , 2004 .

[42]  A. Ramesh,et al.  An experimental study of the biogas-diesel HCCI mode of engine operation , 2010 .

[43]  Rui Chen,et al.  A computational study into the effect of exhaust gas recycling on homogeneous charge compression ignition combustion in internal combustion engines fuelled with methane , 2002 .

[44]  R. Khoshbakhti Saray,et al.  A reduced mechanism for predicting the ignition timing of a fuel blend of natural-gas and n-heptane in HCCI engine , 2014 .

[45]  Raul Payri,et al.  ENGINE COMBUSTION NETWORK: COMPARISON OF SPRAY DEVELOPMENT, VAPORIZATION, AND COMBUSTION IN DIFFERENT COMBUSTION VESSELS , 2012 .

[46]  Anthony J. Marchese,et al.  Autoignition Characterization of Primary Reference Fuels and n-Heptane/n-Butanol Mixtures in a Constant Volume Combustion Device and Homogeneous Charge Compression Ignition Engine , 2013 .

[47]  Ronald K. Hanson,et al.  Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures , 2004 .

[48]  Zunqing Zheng,et al.  Effect of two-stage injection on combustion and emissions under high EGR rate on a diesel engine by fueling blends of diesel/gasoline, diesel/n-butanol, diesel/gasoline/n-butanol and pure diesel , 2015 .