LrgpV1, Main, Merge, bibRecord, 000132

Pyrolysis mechanism of the n-octane/H2S mixture at 70 MPa and 603-623 K

Identifieur interne : 000132 ( Main/Merge ); précédent : 000131; suivant : 000133

Pyrolysis mechanism of the n-octane/H2S mixture at 70 MPa and 603-623 K

Auteurs : V. P. Nguyen [France] ; Valérie Burklé-Vitzthum [France] ; Paul-Marie Marquaire [France] ; Raymond Michels [France]

Source :

Journal of Analytical and Applied Pyrolysis [ 0165-2370 ] ; 2015-05.

RBID : Hal:hal-01266993

Abstract

A detailed kinetic model consisting of 3883 free-radical reactions was developed to describe the pyrolysis of the n-octane/H2S mixture at high pressure and relatively low temperature. The model was validated by comparison between the simulation results and the experimental data obtained at 603 and 623 K 70 MPa, from 3 to 13 days, in gold cells. The main products, which are alkanes and sulfur compounds, i.e., C-8-thiols, alkylthiacycloalkanes, light thiophenes (thiophene, C-1-, C-2-thiophenes) and C-4-thiophenes, are correctly simulated by the model. Nevertheless there are some discrepancies which are discussed in the paper. The kinetic analysis of the model showed that H2S had a slight inhibition effect on the n-octane pyrolysis. This behavior results from different antagonistic effects, i.e., new terminations with HS center dot which decrease the pyrolysis rate; new bimolecular initiations with H2S which increase the pyrolysis rate; and a new parallel propagation loop which also increases the pyrolysis rate. Moreover, the inhibition effect of H2S on n-octane pyrolysis decreases when the temperature decreases and the pyrolysis duration increases. This evolution is due to the relative importance of the three antagonistic effects that depends on the temperature and the reaction duration.

Url:

https://hal.univ-lorraine.fr/hal-01266993

DOI: 10.1016/j.jaap.2014.09.025

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to stream Hal, to step Curation: 000950
to stream Hal, to step Checkpoint: 000123

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Hal:hal-01266993

Le document en format XML

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<tutelle name="UMR7359" active="#struct-441569" type="direct"><org type="institution" xml:id="struct-441569" status="VALID"><idno type="ISNI">0000000122597504</idno>
<idno type="IdRef">02636817X</idno>
<orgName>Centre National de la Recherche Scientifique</orgName>
<orgName type="acronym">CNRS</orgName>
<date type="start">1939-10-19</date>
<desc><address><country key="FR"></country>
</address>
<ref type="url">http://www.cnrs.fr/</ref>
</desc>
</org>
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<tutelle active="#struct-300045" type="direct"><org type="institution" xml:id="struct-300045" status="VALID"><orgName>INSU</orgName>
<desc><address><country key="FR"></country>
</address>
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</hal:affiliation>
<country>France</country>
<placeName><settlement type="city">Nancy</settlement>
<settlement type="city">Metz</settlement>
<region type="region" nuts="2">Grand Est</region>
<region type="old region" nuts="2">Lorraine (région)</region>
</placeName>
<orgName type="university">Université de Lorraine</orgName>
</affiliation>
</author>
</analytic>
<idno type="DOI">10.1016/j.jaap.2014.09.025</idno>
<series><title level="j">Journal of Analytical and Applied Pyrolysis</title>
<idno type="ISSN">0165-2370</idno>
<imprint><date type="datePub">2015-05</date>
</imprint>
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<front><div type="abstract" xml:lang="en">A detailed kinetic model consisting of 3883 free-radical reactions was developed to describe the pyrolysis of the n-octane/H2S mixture at high pressure and relatively low temperature. The model was validated by comparison between the simulation results and the experimental data obtained at 603 and 623 K 70 MPa, from 3 to 13 days, in gold cells. The main products, which are alkanes and sulfur compounds, i.e., C-8-thiols, alkylthiacycloalkanes, light thiophenes (thiophene, C-1-, C-2-thiophenes) and C-4-thiophenes, are correctly simulated by the model. Nevertheless there are some discrepancies which are discussed in the paper. The kinetic analysis of the model showed that H2S had a slight inhibition effect on the n-octane pyrolysis. This behavior results from different antagonistic effects, i.e., new terminations with HS center dot which decrease the pyrolysis rate; new bimolecular initiations with H2S which increase the pyrolysis rate; and a new parallel propagation loop which also increases the pyrolysis rate. Moreover, the inhibition effect of H2S on n-octane pyrolysis decreases when the temperature decreases and the pyrolysis duration increases. This evolution is due to the relative importance of the three antagonistic effects that depends on the temperature and the reaction duration.</div>
</front>
</TEI>
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Pyrolysis mechanism of the n-octane/H2S mixture at 70 MPa and 603-623 K

Pyrolysis mechanism of the n-octane/H2S mixture at 70 MPa and 603-623 K

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