Method for determining gasoline surrogate component proportions and development of reduced chemical kinetics model of the determined surrogate fuel

Abstract

Response surface method is used to build models for predicting an octane number and determining the component proportions of a gasoline surrogate fuel. The fuel is synthesized using toluene, iso-octane, and n-heptane and is referred to as toluene reference fuel. The built models include second-order model and third-order model. Both models can excellently predict the octane number of the toluene reference fuel with known component proportions. Moreover, the third-order model is more accurate than second-order model in determining the component proportions of the toluene reference fuel, and the relative error is less than 8%. Therefore, the third-order model can accurately predict the octane number and determine the component proportions of the toluene reference fuel. Moreover, a new reduced mechanism of the toluene reference fuel is proposed and validated by using shock tube ignition delay and in-cylinder pressure in a homogeneous charge compression ignition engine. The toluene reference fuel mechanism coupled with third-order model is used to simulate the ignition delay of American gasoline (RD387) and the homogeneous charge compression ignition combustion behaviors of European gasoline (ULG95). Both cases are simulated thoroughly.

Keywords

Toluene reference fuel gasoline proportion octane number chemical kinetics

Get full access to this article

View all access options for this article.

References

Yao

Zheng

Liu

Progress and recent trends in homogeneous charge compression ignition (HCCI) engines. Prog Energ Combust Sci 2009; 35: 398–437.

Mehl

Chen

Pitz

WJ.

An approach for formulating surrogates for gasoline with application toward a reduced surrogate mechanism for CFD engine modeling. Energ Fuel 2011; 25: 5215–23.

Cancino

Fikri

Oliveira

AAM

, et al. Autoignition of gasoline surrogate mixtures at intermediate temperatures and high pressures: experimental and numerical approaches. Proc Combust Inst 2009; 32: 501–508.

Cancino

Fikri

Oliveira

AAM

, et al. Ignition delay times of ethanol-containing multi-component gasoline surrogates: shock-tube experiments and detailed modeling. Fuel 2011; 90: 1238–1244.

Pera

Knop

Methodology to define gasoline surrogates dedicated to auto-ignition in engines. Fuel 2012; 96: 59–69.

Pitz

Cernansky

Dryer

. Development of an experimental database and chemical kinetic models for surrogate gasoline fuels. SAE technical paper 2007-01-0175, 2007.

Bieleveld

Frassoldati

Cuoci

, et al. Experimental and kinetic modeling study of combustion of gasoline, its surrogates and components in laminar non-premixed flows. Proc Combust Inst 2009; 32: 493–500.

Jerzembeck

Peters

Pepiot-Desjardins

, et al. Laminar burning velocities at high pressure for primary reference fuels and gasoline: experimental and numerical investigation. Combust Flame 2009; 156: 292–301.

Liu

Jia

Xie

, et al. Enhancement on a skeletal kinetic model for primary reference fuel oxidation by using a semidecoupling methodology. Energ Fuel 2012; 26: 7069–7083.

10.

Tsurushima

A new skeletal PRF kinetic model for HCCI combustion. Proc Combust Inst 2009; 32: 2835–2841.

11.

Gauthier

Davidson

Hanson

RK.

Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures. Combust Flame 2004; 139: 300–311.

12.

Andrae

JCG

Björnbom

Cracknell

, et al. Autoignition of toluene reference fuels at high pressures modeled with detailed chemical kinetics. Combust Flame 2007; 149: 2–24.

13.

Andrae

JCG

Brinck

Kalghatgi

GT.

HCCI experiments with toluene reference fuels modeled by a semidetailed chemical kinetic model. Combust Flame 2008; 155: 696–712.

14.

Andrae

JCG

. Development of a detailed kinetic model for gasoline surrogate fuels. Fuel 2008; 87: 2013–2022.

15.

Bezerra

Santelli

Oliveira

, et al. Response surface methodology (RSM) as a tool for optimization in analytical chemistry. Talanta 2008; 76: 965–977.

16.

Morgan

Smallbone

Bhave

, et al. Mapping surrogate gasoline compositions into RON/MON space. Combust Flame 2010; 2010: 1122–1131.

17.

ASTM D2700–08. Standard test method for motor octane number of spark-ignition engine fuel.

18.

ASTM D2699–08. Standard test method for research octane number of spark-ignition engine fuel.

19.

Kalghatgi

Head

. The available and required autoignition quality of gasoline-like fuels in HCCI engines at high temperatures. SAE technical paper 2004-01-1969, 2004.

20.

Kalghatgi

Risberg

Angstrom

. A method of defining ignition quality of fuels in HCCI engines. SAE technical paper 2003-01-1816, 2003.

21.

Ghosh

Hickey

Jaffe

SB.

Development of a detailed gasoline composition-based octane model. Ind Eng Chem Res 2006; 2006: 337–345.

22.

Kalghatgi

Babiker

Badra

A simple method to predict knock using toluene, N-Heptane and Iso-Octane Blends (TPRF) as gasoline surrogates. SAE 2015-01-0757, 2015.

23.

Badra

Bokhumseen

Mulla

, et al. A methodology to relate octane numbers of binary and ternary n-heptane, iso-octane and toluene mixtures with simulated ignition delay times. Fuel 2015; 160: 458–469.

24.

Andrae

JCG

. Comprehensive chemical kinetic modeling of toluene reference fuels oxidation. Fuel 2013; 107: 740–748.

25.

Atef

Badra

. Reduced gasoline surrogate (Toluene/n-Heptane/iso-Octane) chemical kinetic model for compression ignition simulations. SAE technical paper 2018-01-0191, 2018.

26.

Tanaka

Ayala

Keck

JC.

A reduced chemical kinetic model for HCCI combustion of primary reference fuels in a rapid compression machine. Combust Flame 2003; 133: 467–481.

27.

Tsurushima

A new skeletal PRF kinetic model for HCCI combustion. Proc Combust Inst 2009; 32: 2835–2841.

28.

Liu

Jia

Development of a new skeletal chemical kinetic model of toluene reference fuel with application to gasoline surrogate fuels for computational fluid dynamics engine simulation. Energ Fuel 2013; 27: 4899–4909.

29.

Cai

Pitsch

Optimized chemical mechanism for combustion of gasoline surrogate fuels. Combust Flame 2015; 162: 1623–1637.

30.

Patel

Kong

Reitz

. Development and validation of reduced reaction mechanism for HCCI engine simulation. SAE technical paper 2004-01-0558, 2004.

31.

Machrafi

Cavadias

Gilbert

An experimental and numerical analysis of the HCCI auto-ignition process of primary reference fuels, toluene reference fuels and diesel fuel in an engine, varying the engine parameters. Fuel Process Technol 2008; 89: 1007–1016.

32.

Andrae

JCG

Head

. HCCI experiments with gasoline surrogate fuels modeled by a semidetailed chemical kinetic model. Combust Flame 2009; 156: 842–851.

Supplementary Material

Please find the following supplemental material available below.

For Open Access articles published under a Creative Commons License, all supplemental material carries the same license as the article it is associated with.

For non-Open Access articles published, all supplemental material carries a non-exclusive license, and permission requests for re-use of supplemental material or any part of supplemental material shall be sent directly to the copyright owner as specified in the copyright notice associated with the article.

0.00 MB

0.05 MB