Teoretyczne badania katalizatora CrOx/SiO2

Gierada, Maciej; Handzlik, Jarosław

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Teoretyczne badania katalizatora CrOx/SiO2

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Gierada Maciej , Handzlik Jarosław

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Warianty tytułu

Theoretical studies of the CrOx/sSiO2 catalyst

Języki publikacji

Abstrakty

The Phillips CrO_x/SiO₂ catalyst is one of the most commonly used system in the industrial production of high-density polyethylene (HDPE). This system has been extensively studied since decades, mainly by means of experimental techniques. However, the progress in determination of the nature of the chromium sites and understanding of surface reactions occurring has been rather not satisfying and many issues are still under debate. Among others, structure of the chromium oxide species on the surface of the reduced catalyst is not well defined. Likewise, the mechanism of the catalyst reduction and active site formation is not well established. Many experimental studies indicate that chromium exists on the surface of amorphous silica in a wide variety of different forms including monomeric, dimeric and polymeric species. Different oxidation states are also possible, as Cr(VI), Cr(V), Cr(IV), Cr(III), Cr(II) were detected. There is a general consensuses that Cr(VI) dominates at the surface after the catalyst preparation, while Cr(II) and Cr(III) are mainly formed after contact with a reducing agent, like ethylene or CO. Nevertheless, the detailed structure of these oxide species, as well as the active sites, is still strongly discussed. As experimental studies do not show a clear picture about the nature of silica-supported chromium catalyst, very helpful can be computational approach which can provide complementary information, not accessible by experimental techniques. In this short review we summarize the recent progress in the field of the Phillips (CrO_x/SiO₂) catalyst focusing on the most relevant theoretical papers that were published within last couple of years. We also highlight the need of applying advanced models if realistic theoretical description of the CrO_x/SiO₂ system is to be achieved. Additionally, different computational approaches in modeling of heterogenous catalysts are discussed.

Słowa kluczowe

chrom krzemionka katalizator Phillipsa etylen polimeryzacja modelowanie

chromium silica Phillips catalyst ethylene polymerization modelling

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Wiadomości Chemiczne

Rocznik

2019

Tom

[Z] 73, 1-2

Strony

97--114

Opis fizyczny

Bibliogr. 113 poz., schem.

Twórcy

autor

Gierada Maciej

maciej.gierada@pk.edu.pl

Wydział Inżynierii i Technologii Chemicznej, Politechnika Krakowska, ul. Warszawska 24, 31-155 Kraków, Polska

autor

Handzlik Jarosław

Wydział Inżynierii i Technologii Chemicznej, Politechnika Krakowska, ul. Warszawska 24, 31-155 Kraków, Polska

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Uwagi

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2019).

Typ dokumentu

Bibliografia

Identyfikator YADDA

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