ARTICLE IN PRESS JID: CNF [m5G;August 12, 2015;7:20] Combustion and Flame 000 (2015) 1–12 Contents lists available at ScienceDirect Combustion and Flame journal homepage: www.elsevier.com/locate/combustlame A surrogate mixture and kinetic mechanism for emulating the evaporation and autoignition characteristics of gasoline fuel O. Samimi Abianeh a,∗ , Matthew A. Oehlschlaeger b , Chih-Jen Sung c a Department of Mechanical Engineering, Georgia Southern University, Statesboro, GA, United States b Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, United States c Department of Mechanical Engineering, University of Connecticut, Storrs, CT, United States article info Article history: Received 14 January 2015 Revised 11 July 2015 Accepted 11 July 2015 Available online xxx Keywords: Gasoline surrogate Kinetic mechanism Evaporation Ignition delay Distillation curve RD387 abstract Gasoline direct-injection spark-ignition engines and gasoline direct-injection compression-ignition engines have received attention due to their higher fuel economy with respect to conventional port fuel injected internal combustion spark-ignition engines. Combustion modeling of these types of engines requires a fuel surrogate that mimics both physical (e.g., evaporation) and chemical (e.g., combustion) characteristics of the gasoline fuel. In this work, we propose a novel methodology for the formulation of a gasoline surrogate based on the essential physical and chemical properties of the target gasoline fuel. Using the proposed procedure, a surrogate with seven components has been identified to emulate the physical and chemical characteristics of a real non-oxygenated gasoline fuel, RD387. A surrogate kinetic mechanism was developed by combining available detailed kinetic mechanisms from the Lawrence Livermore National Laboratory library. The mod- eling results for distillation curve, ignition delay and laminar flame speed were validated against available experimental data in the literature. The surrogate and gasoline fuels display similar physical/chemical prop- erties, including distillation curve, H/C ratio, density, heating value, and ignition behavior and flame propa- gation over a wide range of pressures, temperatures, and equivalence ratios. © 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. 1. Introduction Gasoline direct-injection (GDI) [1] and GDI compression-ignition (GDCI) engines [2,3] have received attention due to their higher fuel economy with respect to conventional port fuel injected internal combustion spark-ignition engines. Spray characteristics including evaporation history and penetration have great importance in the design and development of these engines; since spray physical phe- nomena play such an important role in the formation of the air/fuel mixture in the combustion chamber. Gasoline, diesel, and jet fuels are mixtures of many structural classes of molecules such as paraffins, aromatics, olefins, and naph- thenes. For the purposes of formulating surrogate mixtures to represent the combustion behavior of oxygenated gasoline, some of the hydrocarbon group representatives used in surrogate mix- tures in prior studies are n-heptane for n-paraffins, iso-octane for iso-paraffins, toluene for aromatics, pentene for olefins, and ethanol for oxygenated groups [4–7]. Mixtures of these components can be formulated to mimic the ignition delays and laminar flame speeds of gasoline but cannot emulate the spray behavior of gasoline as the ∗ Corresponding author. Fax: +1 9124781455. E-mail address: oabianeh@georgiasouthern.edu, samimiomid@gmail.com (O.S. Abianeh). distillation curves and evaporation behaviors of these components and their mixtures are different from gasoline as discussed later. On the other hand, suggested representatives for modeling gasoline distillation or evaporation behavior are n-pentane, n-heptane, and n-decane (e.g., [8]). However, mixtures of these components cannot emulate the ignition delays and laminar flame speeds of gasoline adequately. The question of the present work is: can a single mixture be formulated that will mimic both the evaporation and combustion characteristics of the target gasoline? Towards that goal, a surrogate that includes most of the hydrocarbon group representatives found in a non-oxygenated gasoline is developed here to emulate the combustion and evaporation behaviors of this target gasoline. The surrogate contains n-alkane, iso-alkane, aromatic, and olefin repre- sentatives and a detailed kinetic mechanism is built from literature mechanisms for each of the species. The surrogate components and mixture composition are defined via a methodology that seeks a surrogate formulated from a minimum number of species that have relatively well defined kinetic mechanisms and provides adequate emulation of real gasoline evaporation and ignition behaviors. 2. Background Surrogate mixtures are formulated for the purpose of numeri- cal simulation of complex real fuel mixtures using a small number http://dx.doi.org/10.1016/j.combustflame.2015.07.015 0010-2180/© 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved. Please cite this article as: O.S. Abianeh et al., A surrogate mixture and kinetic mechanism for emulating the evaporation and autoignition characteristics of gasoline fuel, Combustion and Flame (2015), http://dx.doi.org/10.1016/j.combustflame.2015.07.015