Estimation of the number of active sites through kinetic analysis on MWCNT‐supported nanocatalysts

Abstract

AbstractA semiempirical approach was derived to obtain turnover frequency (TOF) and the number of active sites in the absence of chemisorption methods. First, a deductive kinetic analysis was carried out considering the overall reaction of the selected cross‐coupling model reaction. The catalytic rate constants at various temperatures were estimated, and they were used to calculate the activation energy barrier. Then, the obtained activation energy was substituted in an energy span model to interpret semiempirical TOF values that enable the prediction of the number of active sites of the heterogeneous catalyst. The multiwalled carbon nanotube (MWCNT) supported nanocatalyst was prepared via the supercritical carbon dioxide deposition method. The reasonable number of active sites showed that the MWCNT character and the supercritical fluid deposition method seem to be effective to obtain efficient catalysts. This semiempirical approach is expected to provide a practical way to understand the catalyst properties and useful input to further scale‐up catalyst design studies.