Generalized model of hydrocarbons pyrolysis using automated reactions network generation

Kód výsledku v 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>

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 pyrolysis 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 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.

Název v anglickém jazyce

Generalized model of hydrocarbons pyrolysis 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 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.

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

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

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

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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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