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

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/62243136:_____/14:MSMT23CL

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

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

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

ISSN

0165-2370

e-ISSN

—

Svazek periodika

109

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

159-167

Kód UT WoS článku

000343022200018

EID výsledku v databázi Scopus

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