On the High-Temperature Combustion of n-Butanol: Shock Tube Data and an Improved Kinetic Model

    Authors

    S. S. Vasu;S. M. Sarathy

    Comments

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    Abbreviated Journal Title

    Energy Fuels

    Keywords

    JET-STIRRED REACTOR; LAMINAR FLAME SPEEDS; HYDROGEN-ABSTRACTION; ISO-BUTANOL; CHEMICAL-KINETICS; RATE CONSTANTS; MULTISPECIES; MEASUREMENTS; THERMAL-DECOMPOSITION; SOYBEAN BIODIESEL; ELEVATED; PRESSURE; Energy & Fuels; Engineering, Chemical

    Abstract

    The combustion of n-butanol has received significant interest in recent years, because of its potential use in transportation applications. Researchers have extensively studied its combustion chemistry, using both experimental and theoretical methods; however, additional work is needed under specific conditions to improve our understanding of n-butanol combustion. In this study, we report new OH time-history data during the high-temperature oxidation of n-butanol behind reflected shock waves over the temperature range of 1300-1550 K and at pressures near 2 atm. These data were obtained at Stanford University, using narrow-line-width ring dye laser absorption of the R-1(5) line of OH near 306.7 nm. Measured OH time histories were modeled using comprehensive n-butanol literature mechanisms. It was found that n-butanol unimolecular decomposition rate constants commonly used in chemical kinetic models, as well as those determined from theoretical studies, are unable to predict the data presented herein. Therefore, an improved high-temperature mechanism is presented here, which incorporates recently reported rate constants measured in a single pulse shock tube [C. M. Rosado-Reyes and W. Tsang, J. Phys. Chem. A 2012, 116, 9825-9831]. Discussions are presented on the validity of the proposed mechanism against other literature shock tube experiments.

    Journal Title

    Energy & Fuels

    Volume

    27

    Issue/Number

    11

    Publication Date

    1-1-2013

    Document Type

    Article

    Language

    English

    First Page

    7072

    Last Page

    7080

    WOS Identifier

    WOS:000327557800079

    ISSN

    0887-0624

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