Cover of Chemical Engineering Science volume 195Authors: Catarina G. BRAZ¹, Adélio MENDES², Jorge ROCHA³, Ricardo ALVIM³, Henrique A. MATOS¹


¹Centro Recursos Naturais e Ambiente, Instituto Superior Técnico, Universidade de Lisboa, Avenida Rovisco Pais 1, 1049-001 Lisboa, Portugal
²Laboratory for Process Engineering, Environment, Biotechnology and Energy, Faculdade de Engenharia, Universidade do Porto, R. Dr. Roberto Frias, 4200-464 Porto, Portugal
³EuroResinas, Industrias Químicas S.A. – Uma empresa do grupo Sonae Arauco, Plataforma Industrial de Sines – Lote Industrial I, 7520-064 Sines, Portugal

Reference (APA): Braz, C. G., Mendes, A., Rocha, J., Alvim, R., & Matos, H. A. (2018, February 23). Model of an industrial multitubular reactor for methanol to formaldehyde oxidation in the presence of catalyst deactivation. Chemical Engineering Science. Elsevier Ltd.

Abstract: “In the present work, a first-principles model of methanol partial oxidation to formaldehyde in an industrial reactor was developed and the reaction kinetic and deactivation parameters estimated, taking advantage of the temperature profile established by the exothermic reaction. The catalyst deactivation was assigned primarily to hot-spot regions in the oxidation reactor. The exposure to high temperatures enhances solid-state reactions that produce volatile compounds and a consequential loss of catalyst active compounds that migrate downstream from the hot-spot. This phenomenon was modelled implementing a new method where, instead of time, the deactivation was integrated as a function of the total consumed reagent until the instant of interest…”

Comments: this work was conducted using gPROMS Model Builder to set up the model of an industrial reactor and “The heat capacities and the physical properties were estimated using Aspen Plus V8.8 through the Thermo CAPE-OPEN Standard properties system with the property model NRTL.” So the authors took advantage of the CAPE-OPEN Thermodynamic socket available in gPROMS Model Builder and of the possibility given by Aspen Properties to export a CAPE-OPEN Property Package so that it may be plugged into a CAPE-OPEN Process Modelling Environment which gPROMS Model Builder is.