2016
Review of multi-scale approaches (methods) for bridging the huge differences in time scale (from micro to meso to macro) by exploring different methods, best practice, and gaps & needs. Intraphase transport is coupled with reaction using (i) generalized Thiele modulus, or (ii) 1D + 1D approach, or (iii) multi-region approach (microkinetics + rate equations). Hierarchical multiscale approaches for fundamental analysis of complex systems. The review finishes with an illustration concerning the comparison between rate-equation and microkinetic modeling for CH4 steam-reforming over a Rh catalyst in which the water-gas shift reaction is not always equilibrated.
