Simplifying Complex Computer-Generated Reactions Network to Suppress Its Stiffness

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F12%3A43894818" target="_blank" >RIV/60461373:22310/12:43894818 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/62243136:_____/12:#0000284

Výsledek na webu

<a href="http://www.sciencedirect.com/science/article/pii/S1877705812029633" target="_blank" >http://www.sciencedirect.com/science/article/pii/S1877705812029633</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.proeng.2012.07.556" target="_blank" >10.1016/j.proeng.2012.07.556</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Simplifying Complex Computer-Generated Reactions Network to Suppress Its Stiffness

Popis výsledku v původním jazyce

Creation of mathematical model of complex radical processes manually is a very time-consuming process. Steam-cracking model created automatically by automated reaction network generation, on the other hand, becomes very large and complex for bigger molecules. This work was aimed at applying pseudo-steady state assumption automatically to components inside generated reactions network. The details of simplifying procedure are provided and the comparison of experimental data (lab-scale) to simulations by original and simplified model is presented. In overall, the simplification procedure lead only to marginal deviations in the simulated results, but the model ability to simulate bigger molecules has substantially improved.

Název v anglickém jazyce

Simplifying Complex Computer-Generated Reactions Network to Suppress Its Stiffness

Popis výsledku anglicky

Creation of mathematical model of complex radical processes manually is a very time-consuming process. Steam-cracking model created automatically by automated reaction network generation, on the other hand, becomes very large and complex for bigger molecules. This work was aimed at applying pseudo-steady state assumption automatically to components inside generated reactions network. The details of simplifying procedure are provided and the comparison of experimental data (lab-scale) to simulations by original and simplified model is presented. In overall, the simplification procedure lead only to marginal deviations in the simulated results, but the model ability to simulate bigger molecules has substantially improved.

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

2012

Kód důvěrnosti údajů

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

Název periodika

Procedia Engineering

ISSN

1877-7058

e-ISSN

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Svazek periodika

42

Číslo periodika v rámci svazku

Srpen

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

1624-1633

Kód UT WoS článku

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EID výsledku v databázi Scopus

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