520 KB41 KB199820252007Kravanja, ZdravkoRopotar, Marcelštevilka:4letnik:54str. 700-712COBISSID:12004374ISSN:1318-0207URN:URN:NBN:SI:doc-XN4UUZMCenSlovensko kemijsko društvoActa chimica slovenicacevni reaktormodelioptimiranješaržni reaktorDevelopment of a mathematical model for the dynamic optimization of batch reactors, and MINLP synthesis of plug-flow reactors in complex networks|This paper describes the development of a robust and efficient reactor model suitable for representing batch and plugflow reactors (PFRs) in different applications. These would range from the nonlinear (NLP) dynamic optimization of a stand-alone batch reactor up to the mixed-integer nonlinear (MINLP) synthesis of a complex reactor network in overall process schemes. Different schemes for the Orthogonal Collocation on Finite Element (OCFE) and various model formulations, in the case of MINLP model, were studied in order to increase the robustness and efficiency of the model. A deterministic model for known kinetics was obtained for batch and PFR reactors and extended for uncertainties in process parameters and reaction kinetics when the kinetics is unknown. Different variations of the developed model were applied to certain problems, as examples. The first motivating example was the dynamic optimization of batch reactor and the second the MINLP synthesis of a process scheme for the production of allyl chloride. The NLP version of the model with moving finite elements was found to be the most efficient for representing a batch reactor in the dynamic optimization example, and PFR trains in the process synthesis exampleRazvili smo učinkovit model za reaktor, ki je primeren za modeliranje šaržnih in cevnih reaktorjev. Uporabimo ga lahko za nelinearno (NLP) dinamično optimiranje šaržnega reaktorja kot posamične procesne enote ali za mešano celoštevilsko (MINLP) sintezo kompleksnih reaktorskih omrežij v celotni procesni shemi. Da bi povečali robustnost in učinkovitost modela, smo proučevali različne sheme in strategije za ortogonalno kolokacijo končnih elementov in v primeru MINLP modela tudi različne modelne formulacije. Dobili smo determinističen model z znano kinetiko za šaržne in cevne reaktorje. Razširili smo ga za pogoje nedoločenosti v procesnih parametrih in reakcijski kinetiki v primeru, ko je kinetika neznana. Različne variante razvitega modela smo uporabili na dveh primerih. Prvi primer je bil motivacijski primer dinamičnega optimiranja šaržnega reaktorja in drugi MINLP sinteza procesne sheme proizvodnje alilklorida. NLP model s pomičnimi končnimi elementi se je izkazal za najbolj učinkovitega tako pri optimiranju šaržnega reaktorja kot pri cevnem reaktorju v procesni sinteziTEXTznanstveno časopisjejournalsSlovenian National E-content AggregatorNational and University Library of SloveniaSlovensko kemijsko društvo