Simulations of cluster-based catalytic oxidn. of CO were performed using a dual reverse spill-over microkinetic model (DRSO-MK simulations) in order to improve the description and understand the underlying physics of the exptl. turn-over data. The description of mass-selected Pd13 TOF profiles as a function of mole fraction was reproduced to an excellent level at a range of temps. The DRSO-MK model was extended to produce predictions of reactants which are both mobile on the support, illustrating the predictive power of the model and the importance of support interactions in the accurate modeling of cluster-based nanocatalysts. [on SciFinder(R)]     «

Simulations of cluster-based catalytic oxidn. of CO were performed using a dual reverse spill-over microkinetic model (DRSO-MK simulations) in order to improve the description and understand the underlying physics of the exptl. turn-over data. The description of mass-selected Pd13 TOF profiles as a function of mole fraction was reproduced to an excellent level at a range of temps. The DRSO-MK model was extended to produce predictions of reactants which are both mobile on the support, illustratin...     »

CAN 149:453895 59-4 Air Pollution and Industrial Hygiene Lehrstuhl fuer Physikalische Chemie, Technische Universitaet Muenchen, Lichtenbergstr. 4, Garching, Germany. Journal 0009-2614 7440-05-3 (Palladium) Role: CAT (Catalyst use), USES (Uses) (dual reverse spill-over: microkinetic simulations of carbon monoxide oxidn. on palladium nanocatalysts); 630-08-0 (Carbon monoxide) Role: REM (Removal or disposal), PROC (Process) (dual reverse spill-over: microkinetic simulations of carbon monoxide oxidn. on palladium nanocatalysts)     «

CAN 149:453895 59-4 Air Pollution and Industrial Hygiene Lehrstuhl fuer Physikalische Chemie, Technische Universitaet Muenchen, Lichtenbergstr. 4, Garching, Germany. Journal 0009-2614 7440-05-3 (Palladium) Role: CAT (Catalyst use), USES (Uses) (dual reverse spill-over: microkinetic simulations of carbon monoxide oxidn. on palladium nanocatalysts); 630-08-0 (Carbon monoxide) Role: REM (Removal or disposal), PROC (Process) (dual reverse spill-over: microkinetic simulations of carbon monoxide oxid...     »