Kinetic modeling with automatic reaction network generator, an application to naphtha steam cracking

Energy ◽  
2020 ◽  
Vol 207 ◽  
pp. 118204 ◽  
Author(s):  
Yu Ren ◽  
Gaoshun Guo ◽  
Zuwei Liao ◽  
Yao Yang ◽  
Jingyuan Sun ◽  
...  
Catalysts ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 626 ◽  
Author(s):  
Sebastian Standl ◽  
Olaf Hinrichsen

The increasing demand for lower olefins requires new production routes besides steam cracking and fluid catalytic cracking (FCC). Furthermore, less energy consumption, more flexibility in feed and a higher influence on the product distribution are necessary. In this context, catalytic olefin cracking and methanol-to-olefins (MTO) gain in importance. Here, the undesired higher olefins can be catalytically converted and, for methanol, the possibility of a green synthesis route exists. Kinetic modeling of these processes is a helpful tool in understanding the reactivity and finding optimum operating points; however, it is also challenging because reaction networks for hydrocarbon interconversion are rather complex. This review analyzes different deterministic kinetic models published in the literature since 2000. After a presentation of the underlying chemistry and thermodynamics, the models are compared in terms of catalysts, reaction setups and operating conditions. Furthermore, the modeling methodology is shown; both lumped and microkinetic approaches can be found. Despite ZSM-5 being the most widely used catalyst for these processes, other catalysts such as SAPO-34, SAPO-18 and ZSM-23 are also discussed here. Finally, some general as well as reaction-specific recommendations for future work on modeling of complex reaction networks are given.


2014 ◽  
Vol 109 ◽  
pp. 159-167 ◽  
Author(s):  
Petr Zámostný ◽  
Adam Karaba ◽  
Natália Olahová ◽  
Jiří Petrů ◽  
Jan Patera ◽  
...  

2002 ◽  
Vol 41 (24) ◽  
pp. 6213-6214 ◽  
Author(s):  
Marie-Françoise S. G. Reyniers ◽  
Sandra Wauters ◽  
Guy B. Marin

2006 ◽  
Vol 61 (8) ◽  
pp. 2457-2467 ◽  
Author(s):  
Aurora Santos ◽  
Pedro Yustos ◽  
Sara Gomis ◽  
Gema Ruiz ◽  
Felix Garcia-Ochoa

Steroids ◽  
2016 ◽  
Vol 116 ◽  
pp. 52-59 ◽  
Author(s):  
Carlo Barnaba ◽  
Maria Teresa Rodríguez-Estrada ◽  
Giovanni Lercker ◽  
Hugo Sergio García ◽  
Ilce Gabriela Medina-Meza

2007 ◽  
Vol 46 (23) ◽  
pp. 7394-7409 ◽  
Author(s):  
Aaron Ortiz-Gomez ◽  
Benito Serrano-Rosales ◽  
Miguel Salaices ◽  
Hugo de Lasa

Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 83
Author(s):  
Francesco Taddeo ◽  
Roberto Esposito ◽  
Vincenzo Russo ◽  
Martino Di Serio

In the last few years, the depletion of the fossil sources and their negative effect on the environment has led to find new alternatives; among these, biodiesel is considered one of the most promising for this purpose. Biodiesel can be produced from the transesterification of vegetable oils or animal fats, obtaining glycerol as a by-product. Glycerol can be used in different processes and one of the most interesting is the condensation with acetone to produce solketal. Among its applications, plasticizers, solvents, and pharmaceutical formulations are the most common. In this work, the attention was focused on the reaction between glycerol and acetone to give solketal promoted by an iron(III) complex. The reaction mechanism was hypothesized, and the kinetics was studied in a batch reactor. Finally, the thermodynamic and kinetic parameters were determined with a reliable model investigating the phenomena that occurred in the reaction network.


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