Browsing School of Chemistry (Scholarly Articles) by Author "http://dx.doi.org/10.13039/100000015"
Now showing items 1-6 of 6
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An experimental and kinetic modeling study of the oxidation of hexane isomers: Developing consistent reaction rate rules for alkanes
Kuiwen, Zhang; Banyon, Colin; Burke, Ultan; Kukkadapu, Goutham; Wagnon, Scott W.; Mehl, Marco; Curran, Henry J.; Westbrook, Charles K.; Pitz, William J. (Elsevier, 2019-05-09)Alkanes are key components in gasoline, jet and diesel fuels and considerably influence the combustion behavior of these fuels because of their wide range of reactivity. An improved understanding of their combustion behavior ... -
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone
Zhang, Kuiwen; Lokachari, Nitin; Ninnemann, Erik; Khanniche, Sarah; Green, William H.; Curran, Henry J.; Vasu, Subith S.; Pitz, William J. (Elsevier, 2018-07-05)The ignition delay times of cyclopentanone in air were measured using a high pressure shock tube (HPST) and a rapid compression machine (RCM) over the temperature range of 794-1368 K at P = 15 and 30 bar and at equivalence ... -
A pyrolysis study of allylic hydrocarbon fuels
Nagaraja, Shashank S.; Kukkadapu, Goutham; Panigrahy, Snehasish; Liang, Jinhu; Lu, Haitao; Pitz, William J.; Curran, Henry J. (Wiley, 2020-08-17)The pyrolysis of selected C3 C5 allylic hydrocarbons has been studied using a single-pulse shock tube. A new single-pulse shock tube has been designed and constructed by recommissioning an existing conventional shock ... -
Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate
Ahmed, Ahfaz; Pitz, William J.; Cavallotti, Carlo; Mehl, Marco; Lokachari, Nitin; Nilsson, Elna J. K.; Wang, Jui-Yang; Konnov, Alexander A.; Wagnon, Scott W.; Chen, Bingjie; Wang, Zhandong; Kim, Seonah; Curran, Henry J.; Klippenstein, Stephen J.; Roberts, William L.; Sarathy, S. Mani (Elsevier, 2018-07-17)Small esters represent an important class of high octane biofuels for advanced spark ignition engines. They qualify for stringent fuel screening standards and could be synthesized through various pathways. In this work, ... -
Testing the validity of a mechanism describing the oxidation of binary n-heptane/toluene mixtures at engine operating conditions
Malliotakis, Zisis; Banyon, Colin; Kuiwen, Zhang; Wagnon, Scott; Rodriguez Henriquez, Jose Juan; Vourliotakis, George; Keramiotis, Christos; Founti, Maria; Mauss, Fabian; Pitz, William J.; Curran, Henry J. (Elsevier, 2019-11-02)The aim of this work is to evaluate the influence of the n-heptane/toluene ratio on the reactivity of binary toluene reference fuels (TRFs), through a combined experimental and numerical work. Novel experimental ignition ... -
Theoretical kinetics analysis for Ḣ atom addition to 1,3-Butadiene and related reactions on the Ċ4H7 potential energy surface
Li, Yang; Klippenstein, Stephen J.; Zhou, Chong-Wen; Curran, Henry J. (American Chemical Society, 2017-09-08)The oxidation chemistry of the simplest conjugated hydrocarbon, 1,3-butadiene, can provide a first step in understanding the role of polyunsaturated hydrocarbons in combustion and, in particular, an understanding of their ...