Exploration of chemical composition effects on the autoignition of two commercial diesels: Rapid compression machine experiments and model simulation

Abstract Chemical composition difference widely exists in real fuels, and the composition difference will affect the fuel autoignition and heat release in HCCI-based advanced engines. This study aims to explore the composition effects on autoignition by comparing the autoignition characteristics of two commercial diesels (China Stage-V and Stage-VI). The main composition difference is that Stage-V diesel has a higher paraffin content and a lower naphthene content than Stage-VI diesel. Ignition delay times (IDTs) of the two diesels were measured in a heated rapid compression machine at equivalence ratios of 0.37–1.25, pressures of 10–20 bar, and temperatures of 687–865 K. It is found that the difference in the total IDTs of the two diesels varies with the temperature range, and the first-stage IDTs of Stage-V diesel are much shorter than those of Stage-VI diesel. The IDT discrepancies were appropriately explained using the composition difference between the two diesels. Model simulation was carried out using a ternary and a five-component diesel surrogate coupled with an updated kinetic model. Simulation results show that the composition effects on the autoignition of the two diesels can be well captured by the two surrogates, where the ternary and five-component surrogates agree well with Stage-V and Stage-VI diesels, respectively. To further reveal the intrinsic mechanism of the composition effects, low-temperature reactivity difference between the two surrogates was interpreted from a kinetic perspective. Rate of production (ROP) analysis on OH radical confirms that the addition of decalin in the five-component surrogate is primarily responsible for the longer first-stage IDT compared to the ternary surrogate. Since the two surrogates capture the composition difference and autoignition characteristics of the two diesels, the conclusion from the kinetic analysis will help understand the composition effects on the autoignition of the diesels.

[1]  Lei Zhu,et al.  Experimental and modeling validation of a large diesel surrogate: Autoignition in heated rapid compression machine and oxidation in flow reactor , 2019, Combustion and Flame.

[2]  C. Law,et al.  Theory of first-stage ignition delay in hydrocarbon NTC chemistry , 2018 .

[3]  Gaurav Mittal,et al.  Methodology to account for multi-stage ignition phenomena during simulations of RCM experiments , 2013 .

[4]  Yong Qian,et al.  A study on the low-to-intermediate temperature ignition delays of long chain branched paraffin: Iso-cetane , 2019, Proceedings of the Combustion Institute.

[5]  Charles J. Mueller,et al.  Recent progress in the development of diesel surrogate fuels , 2009 .

[6]  Sandeep Gowdagiri,et al.  A shock tube ignition delay study of conventional diesel fuel and hydroprocessed renewable diesel fuel from algal oil , 2014 .

[7]  Chih-Jen Sung,et al.  Using rapid compression machines for chemical kinetics studies , 2014 .

[8]  Zhen Huang,et al.  Experimental study and chemical analysis of n-heptane homogeneous charge compression ignition combustion with port injection of reaction inhibitors , 2007 .

[9]  J. Zádor,et al.  Kinetics of elementary reactions in low-temperature autoignition chemistry , 2011 .

[10]  F. Battin‐Leclerc Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates , 2008 .

[11]  Chih-Jen Sung,et al.  Autoignition study of ULSD#2 and FD9A diesel blends , 2016 .

[12]  Frederick L. Dryer,et al.  Chemical kinetic and combustion characteristics of transportation fuels , 2015 .

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

[14]  Xiangyuan Li,et al.  A shock tube study of the autoignition characteristics of RP-3 jet fuel , 2015 .

[15]  E. Ranzi,et al.  Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels , 2014 .

[16]  Chih-Jen Sung,et al.  An experimental study of the autoignition characteristics of conventional jet fuel/oxidizer mixtures: Jet-A and JP-8 , 2010 .

[17]  Jihad Badra,et al.  Ignition studies of two low-octane gasolines , 2017 .

[18]  M. I. Rocha,et al.  Ignition delay times of Jet A-1 fuel: Measurements in a high-pressure shock tube and a rapid compression machine , 2017 .

[19]  Bryan W. Weber,et al.  Experiments and modeling of the autoignition of methylcyclohexane at high pressure , 2014, 1706.02996.

[20]  Daniel Valco,et al.  Low temperature autoignition of conventional jet fuels and surrogate jet fuels with targeted properties in a rapid compression machine , 2017 .

[21]  John M. Simmie,et al.  Modeling and Experimental Investigation of Methylcyclohexane Ignition in a Rapid Compression Machine , 2005 .

[22]  Zhen Huang,et al.  Combustion characteristics and influential factors of isooctane active-thermal atmosphere combustion assisted by two-stage reaction of n-heptane , 2011 .

[23]  F. Egolfopoulos,et al.  A physics-based approach to modeling real-fuel combustion chemistry – II. Reaction kinetic models of jet and rocket fuels , 2018, Combustion and Flame.

[24]  Daniel Valco,et al.  Ignition behavior and surrogate modeling of JP-8 and of camelina and tallow hydrotreated renewable jet fuels at low temperatures , 2013 .

[25]  Jihad Badra,et al.  Ignition delay measurements of light naphtha: A fully blended low octane fuel , 2017 .

[26]  Xingcai Lu,et al.  Experimental and Kinetic Modeling Study on Self-Ignition of α-Methylnaphthalene in a Heated Rapid Compression Machine , 2017 .

[27]  Chih-Jen Sung,et al.  CFD modeling of two-stage ignition in a rapid compression machine: Assessment of zero-dimensional approach , 2010 .

[28]  A. Starikovskiy,et al.  Ignition Delay Times of Kerosene (Jet-A)/Air Mixtures , 2012, 1208.4779.

[29]  Yong Qian,et al.  Ignition delay times of decalin over low-to-intermediate temperature ranges: Rapid compression machine measurement and modeling study , 2018, Combustion and Flame.

[30]  Xiaole Wang,et al.  Experimental studies on combustion and emissions of RCCI fueled with n-heptane/alcohols fuels , 2015 .

[31]  Zhen Huang,et al.  Auto-ignition and combustion characteristics of n-butanol triggered by low- and high-temperature reactions of premixed n-heptane , 2013 .

[32]  Aamir Farooq,et al.  Ignition of alkane-rich FACE gasoline fuels and their surrogate mixtures , 2015 .

[33]  Zhen Huang,et al.  Experimental study on compound HCCI (homogenous charge compression ignition) combustion fueled with gasoline and diesel blends , 2014 .

[34]  Heinz Pitsch,et al.  Development of an Experimental Database and Kinetic Models for Surrogate Diesel Fuels , 2007 .

[35]  Thomas A. Litzinger,et al.  The experimental evaluation of a methodology for surrogate fuel formulation to emulate gas phase combustion kinetic phenomena , 2012 .

[36]  Zhen Huang,et al.  Experimental studies on the dual-fuel sequential combustion and emission simulation , 2013 .

[37]  S. M. Sarathy,et al.  Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds , 2017, Proceedings of the National Academy of Sciences.

[38]  Ronald K. Hanson,et al.  Application of an aerosol shock tube to the measurement of diesel ignition delay times , 2009 .

[39]  Liang Yu,et al.  Experimental and modeling study of the autoignition characteristics of commercial diesel under engine-relevant conditions , 2019, Proceedings of the Combustion Institute.

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

[41]  Ronald K. Hanson,et al.  Ignition delay times of low-vapor-pressure fuels measured using an aerosol shock tube , 2012 .

[42]  Edwin Corporan,et al.  Chemical ignition delay of candidate drop-in replacement jet fuels under fuel-lean conditions: A shock tube study , 2017 .

[43]  Gaurav Mittal,et al.  A computationally efficient, physics-based model for simulating heat loss during compression and the delay period in RCM experiments , 2012 .

[44]  Ronald K. Hanson,et al.  Ignition delay time correlations for distillate fuels , 2017 .

[45]  Rolf D. Reitz,et al.  Review of high efficiency and clean reactivity controlled compression ignition (RCCI) combustion in internal combustion engines , 2015 .

[46]  Zhen Huang,et al.  Fuel design and management for the control of advanced compression-ignition combustion modes , 2011 .

[47]  Matthias Ihme,et al.  Formulation of optimal surrogate descriptions of fuels considering sensitivities to experimental uncertainties , 2018 .

[48]  C. Law,et al.  First-stage ignition delay in the negative temperature coefficient behavior: Experiment and simulation , 2016 .

[49]  Chung King Law,et al.  The role of global and detailed kinetics in the first-stage ignition delay in NTC-affected phenomena , 2013 .

[50]  William L. Roberts,et al.  Compositional effects on the ignition of FACE gasolines , 2016 .

[51]  Chih-Jen Sung,et al.  Experimental and surrogate modeling study of gasoline ignition in a rapid compression machine , 2012 .

[52]  Jason Martz,et al.  A surrogate for emulating the physical and chemical properties of conventional jet fuel , 2014 .

[53]  Tianfeng Lu,et al.  A Multicomponent Blend as a Diesel Fuel Surrogate for Compression Ignition Engine Applications , 2014 .

[54]  Ronald K. Hanson,et al.  Jet fuel ignition delay times: Shock tube experiments over wide conditions and surrogate model predictions , 2008 .

[55]  Ronald K. Hanson,et al.  Ignition delay times of conventional and alternative fuels behind reflected shock waves , 2015 .

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

[57]  Chih-Jen Sung,et al.  Autoignition of methylcyclohexane at elevated pressures , 2009 .

[58]  Aamir Farooq,et al.  Recent progress in gasoline surrogate fuels , 2018 .

[59]  Zhen Huang,et al.  A Shock Tube Experimental and Modeling Study of Multicomponent Gasoline Surrogates Diluted with Exhaust Gas Recirculation , 2018 .

[60]  C. Westbrook,et al.  A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane , 2009 .

[61]  Zilong Li,et al.  A new methodology for diesel surrogate fuel formulation: Bridging fuel fundamental properties and real engine combustion characteristics , 2018 .