Generalized model of hydrocarbons pyrolysisi using automated reactions network generation.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F62243136%3A_____%2F13%3AMSMT17CL" target="_blank" >RIV/62243136:_____/13:MSMT17CL - 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>
Alternative languages
Result language
angličtina
Original language name
Generalized model of hydrocarbons pyrolysisi 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 ofgenerated 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 reaction mixture is assumed being stationary along the reactor. A method for estimating this activity in dependence on reactant structureand reaction conditions was also developed. Group contribution parameters were optimized using the results of laboratory experiments involving several pure hydrocarbons (n-alkanes, i-alkanes, cycloalkanes). The laboratory pyrolysis reactor was close to isobaric with plug-flow and specified temperature profile. Results of optimized model were in good agreement with experimental data obtained on laboratory pyrolysis reactor.
Czech name
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Czech description
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Classification
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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Result continuities
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
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN
0888-5885
e-ISSN
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Volume of the periodical
52
Issue of the periodical within the volume
44
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
15407-15416
UT code for WoS article
000326774700021
EID of the result in the Scopus database
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