Generalized model of n-heptane pyrolysis and steam cracking kinetics based on automated reaction network generation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F14%3A43898265" target="_blank" >RIV/60461373:22310/14:43898265 - isvavai.cz</a>
Alternative codes found
RIV/62243136:_____/14:MSMT23CL
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0165237014001582" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0165237014001582</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jaap.2014.06.017" target="_blank" >10.1016/j.jaap.2014.06.017</a>

Result language
angličtina
Original language name
Generalized model of n-heptane pyrolysis and steam cracking kinetics based on automated reaction network generation
Original language description
Mathematical model of n-heptane pyrolysis under thermal cracking and steam cracking conditions was developed. The objective was achieving good generalization by combining two different data sources for model identification. The data sources included experimental pyrolysis data for many structurally different hydrocarbons measured at reference conditions as well as the data for n-heptane measured in different reactors at different reaction conditions. The model was developed using the automated reactionnetwork generation. The generated network included hydrogen abstraction, beta-scission, radical isomerization and recombination reactions, the kinetic parameters of which were expressed as functions of 26 group contribution factors. Molecular reactions and radical additions were substituted by 12 formal shortcut molecular reactions. The initial values of kinetic parameters and group contribution factors were adopted from previous study, where they were obtained by regression based on the
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CI - Industrial chemistry and chemical engineering
OECD FORD branch
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Project
<a href="/en/project/ED2.1.00%2F03.0071" target="_blank" >ED2.1.00/03.0071: Unipetrol Centre of Research and Education</a><br>
Continuities
S - Specificky vyzkum na vysokych skolach

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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