High pressure, high temperature shock tube studies of ethanepyrolysis and oxidation

Literature Information

Publication Date 2002-03-12
DOI 10.1039/B110702J
Impact Factor 3.676
Authors

Robert S. Tranter, Raghu Sivaramakrishnan, Kenneth Brezinsky, Mark D. Allendorf


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Abstract

A unique high-pressure single pulse shock tube has been used to obtain the first experimental data for ethane oxidation and pyrolysis at very high pressures and temperatures. Experiments were performed at two nominal reaction pressures of 340 bar and 613 bar in the temperature range 1050 K to 1450 K. The major stable species were identified and their concentrations determined using gas chromatography. Several minor species, with up to four carbon atoms and including oxygenates, were also observed in the oxidation studies. Three models based on literature mechanisms for hydrocarbon oxidation were used to simulate the experimental data. All of the models simulate the pyrolysis data well although only one of the models was capable of accurately describing the oxidation data.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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