Impact of CO on the transformation of a model FCC gasoline over CoMoS/Al2O3 catalysts: A combined kinetic and DFT approach

Hydrodeoxygenation of Phenolic Compounds by Sulfided (Co)Mo/Al2O3Catalysts, a Combined Experimental and Theoretical Study

“…The adsorption energies of phenol and 2-ethylpenol are significantly smaller than those previously reported of CO adsorption on similar surfaces [21,35,42]. This might explain why only few phenolic compounds adsorbed on the sulfide phase have been evidenced by IR spectroscopy.…”

Deep HDS of FCC gasoline over alumina supported CoMoS catalyst: Inhibiting effects of carbon monoxide and water

“…If we considered the impact of oxygenates model molecules on the transformation of model sulfur compounds, Philippe et al [10] demonstrated that the real inhibitor was CO and also the carboxylic acid function (using decanoic acid as model molecule) itself more than phenolic compounds (guaiacol and phenol) on the HDS of DBT and 46DMDBT attributed to competitive adsorptions. In HDS of a model feed representative of FCC gasoline under various operating conditions (T=523 K, P = 15 kPa), Pelardy et al [15] confirmed the strong impact of CO in the HDS of 2-methylthiophene and the hydrogenation of 2,3-dimethylbut-2-ene in mixture representative of sulfur compounds and alkenes in FCC gasoline. The authors explained these results by the higher adsorption energy than other compounds (sulfur and alkenes) determined by density functional theory (DFT) calculations.…”

“…The impact of water alone and of a mixture of water and CO (H 2 O/CO molar ratio from 106 to 352) on the transformation of the model feeds has been evaluated according to the experimental procedure describe below. Each model feed has been studied on separate experiments including different steps [15]:…”

Membrane Fractionation of Biomass Fast Pyrolysis Oil and Impact of its Presence on a Petroleum Gas Oil Hydrotreatment

“…A second study (Pinheiro et al, 2011) allowed the authors to confirm this hypothesis and to predict the impact of different quantities of CO/CO 2 on the hydrotreatment of the same SRGO in the same operating conditions as for the first study. The inhibiting effect of the carbon monoxide on the activity of CoMo catalysts has been also reported in other articles, even if the hydrotreatment was only performed on FCC gasolines (model compounds or real feeds) in these cases (Ghosh et al, 2009;Pelardy et al, 2010;Bouvier et al, 2011).…”

“…In the literature, CO is known to act selectively on the hydrogenation/hydrodesulfurization pathways of FCC gasolines (Ghosh et al, 2009). For example, Pelardy et al (2010) showed experimentally the inhibiting effect of CO on the conversion of 2-MethylThiophene (2MT) and 2,3-DiMethylBut-2-eNe (23DMB2N) in FCC gasoline hydrotreating conditions (CoMo/Al 2 O 3 , 2 MPa; 250°C; various contact times). These results were then validated by DFT calculations that confirm that CO adsorption is strongly favored on the S-and M-edge sites of the CoMo catalyst compared to 2MT and 23DMB2N adsorptions and explain the strong inhibiting effect of CO on the 23DMB2N hydrogenation and 2MT hydrodesulfurization.…”