Pretražite po imenu i prezimenu autora, mentora, urednika, prevoditelja

Napredna pretraga

Pregled bibliografske jedinice broj: 1089327

Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation


Duplančić, Marina; Gomzi, Vjeran; Pintar, Albin; Kurajica , Stanislav; Tomašić, Vesna
Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation // Ceramics international, 47 (2021), 3108-3121 doi:10.1016/j.ceramint.2020.09.147 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 1089327 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation

Autori
Duplančić, Marina ; Gomzi, Vjeran ; Pintar, Albin ; Kurajica , Stanislav ; Tomašić, Vesna

Izvornik
Ceramics international (0272-8842) 47 (2021); 3108-3121

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Transition metal oxides ; Low-temperature catalytic oxidation ; VOC/Toluene ; ReaxFF

Sažetak
This study presents detailed experimental and theoretical investigation of manganese-based metal oxides, MnMOx (M: Fe, Ni, Cu) as potential catalysts for the low-temperature toluene oxidation. The first part of the paper deals with the detailed characterization of the prepared catalysts and testing of their catalytic activity and stability in the fixed-bed reactor. The MnFeOx exhibited superior and stable catalytic activity for toluene oxidation (T90 = 419–446 K), comparable with the activity of the commercial Pt–Al2O3 catalyst (T90 = 393–423 K). Among the studied catalysts the following order of catalytic activity was determined: MnFeOx > MnNiOx ≈ MnCuOx > MnOx. The one-dimensional (1D) pseudo-homogeneous model was applied to describe behavior of the fixed bed reactor for the low temperature toluene oxidation over prepared MnFeOx catalysts. The second part of the paper is focused on theoretical investigation of toluene interaction on the surface of the single metal oxides (Mn2O3, MnO2, Fe2O3, NiO and CuO) in the oxygen atmosphere using the ReaxFF method, since they were individual dominant phases in the prepared catalysts. A good correlation between the predicted binding energy of toluene adsorption on the surface of studied metal oxide phases and experimentally determined catalytic activities was observed.

Izvorni jezik
Engleski

Znanstvena područja
Kemijsko inženjerstvo, Interdisciplinarne tehničke znanosti



POVEZANOST RADA


Projekti:
IP-2018-01-8669 - Intenzifikacija fotokatalitičkih i katalitičkih procesa za obradu otpadnih voda i otpadnih plinova (IN-PhotoCat) (Tomašić, Vesna, HRZZ - 2018-01) ( POIROT)

Ustanove:
Fakultet elektrotehnike i računarstva, Zagreb,
Fakultet kemijskog inženjerstva i tehnologije, Zagreb

Citiraj ovu publikaciju

Duplančić, Marina; Gomzi, Vjeran; Pintar, Albin; Kurajica , Stanislav; Tomašić, Vesna
Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation // Ceramics international, 47 (2021), 3108-3121 doi:10.1016/j.ceramint.2020.09.147 (međunarodna recenzija, članak, znanstveni)
Duplančić, M., Gomzi, V., Pintar, A., Kurajica , S. & Tomašić, V. (2021) Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation. Ceramics international, 47, 3108-3121 doi:10.1016/j.ceramint.2020.09.147.
@article{article, year = {2021}, pages = {3108-3121}, DOI = {10.1016/j.ceramint.2020.09.147}, keywords = {Transition metal oxides, Low-temperature catalytic oxidation, VOC/Toluene, ReaxFF}, journal = {Ceramics international}, doi = {10.1016/j.ceramint.2020.09.147}, volume = {47}, issn = {0272-8842}, title = {Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation}, keyword = {Transition metal oxides, Low-temperature catalytic oxidation, VOC/Toluene, ReaxFF} }
@article{article, year = {2021}, pages = {3108-3121}, DOI = {10.1016/j.ceramint.2020.09.147}, keywords = {Transition metal oxides, Low-temperature catalytic oxidation, VOC/Toluene, ReaxFF}, journal = {Ceramics international}, doi = {10.1016/j.ceramint.2020.09.147}, volume = {47}, issn = {0272-8842}, title = {Experimental and theoretical (ReaxFF) study of manganese-based catalysts for low-temperature toluene oxidation}, keyword = {Transition metal oxides, Low-temperature catalytic oxidation, VOC/Toluene, ReaxFF} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


Citati





    Contrast
    Increase Font
    Decrease Font
    Dyslexic Font