An experience of catalyst design using mathematical modeling

• Published in: Chemical Industry and Chemical Engineering Quarterly Vol. 12; no. 3; pp. 187 - 194
• Main Author: Ostrovskii, Nickolay
• Format: Journal Article
• Language: English
• Published: Association of the Chemical Engineers of Serbia 2006
• Subjects: n/a
• DOI: 10.2298/CICEQ0603187O
• ISSN: 1451-9372

The report concerns an approach called the "kinetic-assisted design of catalysts" that has been widely used in the literature during the last ten years. Several examples of mathematical modeling application in catalyst design are presented. The roles and ratio of the active centers of "metallic" (Pt?) and "ionic" platinum (Pt n+) and the acid centers of Al2O3 (AC) in naphtha reforming catalysts are discussed. The role of the micro-distribution of active centers in the catalyst porous structure (among the pores with different size) was analyzed. The affect of porous structure on the reactions accompanied by the capillary condensation of some reagents was considered. It was demonstrated that different shapes of catalyst pellets may be optimal depending on the optimization criterion (effectiveness factor, bed productivity and others). The application of solid inert in the catalyst bed ("dilution" of the catalyst) in unsteady-state regimes was examined. Rad se fokusira na mogucnost "kineticki potpomognutog dizajna katalizatora" koja je veoma mnogo koriscena proteklih 10 godina. U cilju potpunijeg sagledavanja ove mogucnosti analizira se nekoliko primera iz prakse kao na pr. uloga i znacaj odnosa aktivnih centara katalizatora R u metalnom (Pt?) ili jonskom obliku (Pt n+), i kiselih centara ?12?3 (K?) kod katalizatora koji se koriste za reformiranje ugljovodonika. Posebno se naglasava znacaj i uloga disperzije aktivnih centara u poroznoj strukturi katalizatora na mikro-nivou (uzimajuci u obzir da su pore razlicitog precnika). Takodje je razmatran uticaj porozne strukture u slucaju reakcija kod kojih dolazi do kapilarne kondenzacije nekog reaktanta. Pokazano je da se moze pronaci optimalna geometrija zrna katalizatora u zavisnosti od toga sta je usvojeno kao parametar za optimizaciju procesa (na pr. faktor iskoriscenosti produktivnost katalitickog sloja, i dr). Analiziran je uticaj razblazivanja katalitickog sloja dodavanjem inertnih cestica u uslovima nestacionarnog rezima rada reaktora.