Generalized model of hydrocarbons pyrolysisi using automated reactions network generation.

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Generalized model of hydrocarbons pyrolysisi using automated reactions network generation.

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

Generalized model of hydrocarbons pyrolysisi using automated reactions network generation.

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CI - Průmyslová chemie a chemické inženýrství

OECD FORD obor

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Projekt

<a href="/cs/project/ED2.1.00%2F03.0071" target="_blank" >ED2.1.00/03.0071: Unipetrol výzkumně vzdělávací centrum</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

ISSN

0888-5885

e-ISSN

—

Svazek periodika

52

Číslo periodika v rámci svazku

44

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

15407-15416

Kód UT WoS článku

000326774700021

EID výsledku v databázi Scopus

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