Generalized model of hydrocarbons pyrolysis using automated reactions network generation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F13%3A43896404" target="_blank" >RIV/60461373:22310/13:43896404 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/ie4006657" target="_blank" >http://dx.doi.org/10.1021/ie4006657</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ie4006657" target="_blank" >10.1021/ie4006657</a>

Result language
angličtina
Original language name
Generalized model of hydrocarbons pyrolysis using automated reactions network generation
Original language description
A computer program for the automated generation of steam-cracking reactions network (RNG) was developed. The RNG algorithms are based on graph theory tools. Kinetic parameters of generated reaction steps are derived using the information about the structure in the neighborhood of the reaction center by the developed group contribution method. Total radical activity in a reaction mixt. is assumed to be stationary along the reactor. A method for estg. this activity in dependence on reactant structure andreaction conditions was also developed. Group contribution parameters were optimized using the results of lab. expts. involving several pure hydrocarbons (n-alkanes, isoalkanes, cycloalkanes). The lab. pyrolysis reactor was close to isobaric with plug-flow and specified temp. profile. Results of optimized model were in good agreement with exptl. data obtained on a lab. pyrolysis reactor.
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
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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