About: Generalized model of hydrocarbons pyrolysis using automated reactions network generation

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 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 and reaction 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. 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 and reaction 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. (en)
Title	Generalized model of hydrocarbons pyrolysis using automated reactions network generation Generalized model of hydrocarbons pyrolysis using automated reactions network generation (en)
skos:prefLabel	Generalized model of hydrocarbons pyrolysis using automated reactions network generation Generalized model of hydrocarbons pyrolysis using automated reactions network generation (en)
skos:notation	RIV/60461373:22310/13:43896404!RIV14-MSM-22310___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(ED2.1.00/03.0071)
http://linked.open...iv/cisloPeriodika	44
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Karaba, Adam Zámostný, Petr Bělohlav, Zdeněk
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	76313
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/13:43896404
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	graph theory; automated reactions network generation; mechanistic model; kinetic model; steam cracking (en)
http://linked.open.../riv/klicoveSlovo	kinetic model graph theory automated reactions network generation mechanistic model steam cracking
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[EEE68DEAA36C]
http://linked.open...i/riv/nazevZdroje	Industrial & Engineering Chemistry Research
http://linked.open...in/vavai/riv/obor	CI
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Unipetrol Centre of Research and Education
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	52
http://linked.open...iv/tvurceVysledku	Karaba, Adam Zámostný, Petr Lederer, Jaromír Bělohlav, Zdeněk
http://linked.open...ain/vavai/riv/wos	000326774700021
issn	0888-5885
number of pages	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/ie4006657
http://localhost/t...ganizacniJednotka	22310

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