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Related papers: Reduced chemistry for butanol isomers at engine-re…

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Butanol, an alcohol which can be produced from biomass sources, has received recent interest as an alternative to gasoline for use in spark ignition engines and as a possible blending compound with fossil diesel or biodiesel. Therefore, the…

Strategies and recommendations for performing skeletal reductions of multicomponent surrogate fuels are presented, through the generation and validation of skeletal mechanisms for a three-component toluene reference fuel. Using the directed…

Chemical Physics · Physics 2014-09-29 Kyle E Niemeyer , Chih-Jen Sung

Autoignition delay experiments for the isomers of butanol, including n-, sec-, tert-, and iso-butanol, have been performed using a heated rapid compression machine. For a compressed pressure of 15 bar, the compressed temperatures have been…

Chemical Physics · Physics 2017-06-07 Bryan W. Weber , Kamal Kumar , Chih-Jen Sung

Autoignition experiments of stoichiometric mixtures of s-, t-, and i-butanol in air have been performed using a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar and for compressed temperatures in the range of…

Chemical Physics · Physics 2017-06-12 Bryan W. Weber , Chih-Jen Sung

Investigation of the autoignition delay of the butanol isomers has been performed at elevated pressure of 15 bar and low to intermediate temperatures of 725-870 K. Stoichiometric mixtures made in nitrogen/oxygen air were studied. For the…

Chemical Physics · Physics 2017-06-07 Bryan W. Weber , Chih-Jen Sung

New multipurpose skeletal and reduced chemical-kinetic mechanisms for ethanol combustion are developed, along the same philosophical lines followed in our previous work on methanol. The resulting skeletal mechanism contains 66 reactions,…

Autoignition delay experiments were performed for n-butanol in a heated rapid compression machine. Experiments were performed at pressures of 15 and 30 bar, in the temperature range 650-900 K, and for equivalence ratios of 0.5, 1.0, and…

Chemical Physics · Physics 2017-06-12 Bryan W. Weber

Side-by-side comparison of detailed kinetic models using a new tool to aid recognition of species structures reveals significant discrepancies in the published rates of many reactions and thermochemistry of many species. We present a first…

Chemical Physics · Physics 2017-12-27 Sai Krishna Sirumalla , Morgan A. Mayer , Kyle E. Niemeyer , Richard H. West

Skeletal reaction models are derived for a four-component gasoline surrogate model via an instantaneous local sensitivity analysis technique. The sensitivities of the species mass fractions and the temperature with respect to the reaction…

Computational Engineering, Finance, and Science · Computer Science 2025-06-24 Yinmin Liu , Hessam Babaee , Peyman Givi , Daniel Livescu , Arash Nouri

Autoignition experiments for n-butanol have been performed using a heated rapid compression machine at compressed pressures of 15 and 30 bar, in the compressed temperature range of 675-925 K, and for equivalence ratios of 0.5, 1.0, and 2.0.…

Chemical Physics · Physics 2017-06-06 Bryan W. Weber , Kamal Kumar , Yu Zhang , Chih-Jen Sung

Investigation of the autoignition delay of the butanol isomers has been performed at elevated pressures of 15 bar and 30 bar and low to intermediate temperatures of 680-860 K. The reactivity of the stoichiometric isomers of butanol, in…

Chemical Physics · Physics 2017-06-07 Bryan W. Weber , Chih-Jen Sung

A local-sensitivity-analysis technique is employed to generate new skeletal reaction models for methane combustion from the foundational fuel chemistry model (FFCM-1). The sensitivities of the thermo-chemical variables with respect to the…

Chemical Physics · Physics 2023-08-30 Yinmin Liu , Hessam Babaee , Peyman Givi , Harsha Chelliah , Daniel Livescu , Arash Nouri

This paper presents an approch for modeling with one single kinetic mechanism the chemistry of the autoignition and combustion processes inside an internal combustion engine, as well as the chemical kinetics governing the post-oxidation of…

Chemical Physics · Physics 2009-03-24 Jörg Anderlohr , Roda Bounaceur , A. Pires Da Cruz , Frédérique Battin-Leclerc

The autoignition delays of iso-butanol, oxygen, and nitrogen mixtures have been measured in a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar, over the temperature range 800-950 K, and for equivalence ratio…

Chemical Physics · Physics 2017-06-07 Bryan W. Weber , Shamel Merchant , Chih-Jen Sung , William H. Green

To effectively simulate the combustion of hydrocarbon-fueled supersonic engines, such as rocket-based combined cycle (RBCC) engines, a detailed mechanism for chemistry is usually required but computationally prohibitive. In order to…

Fluid Dynamics · Physics 2020-03-03 Jian An , Guo Qiang He , Kai Hong Luo , Fei Qin , Bing Liu

A detailed mechanism for the four-component RD387 gasoline surrogate developed by Lawrence Livermore National Laboratory has shown good agreement with experiments in engine-relevant conditions. However, with 1388 species and 5933 reversible…

Chemical Physics · Physics 2015-04-15 Kyle E. Niemeyer , Chih-Jen Sung

39 detailed mechanisms for combustion of hydrogen, carbon monoxide and methanol are investigated using ReactionKinetics, a Mathematica based package. The obtained results in most cases do not depend on the choice of reaction rate…

Chemical Physics · Physics 2013-08-06 J. Tóth , A. L. Nagy , I. Zsély

Design and optimization of higher efficiency, lower-emission internal combustion engines are highly dependent on fuel chemistry. Resolving chemistry for complex fuels, like gasoline, is challenging. A solution is to study a fuel surrogate:…

Chemical Physics · Physics 2018-07-23 Shane R. Daly , Kyle E. Niemeyer , William J. Cannella , Christopher L. Hagen

This paper presents a new chemical kinetic model developed for the simulation of auto-ignition and combustion of engine surrogate fuel mixtures sensitized by the presence of NOx. The chemical mechanism is based on the PRF auto-ignition…

Chemical Physics · Physics 2009-03-26 Jörg Anderlohr , A. Pires Da Cruz , Roda Bounaceur , Frédérique Battin-Leclerc
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