Daniel Westreich, Noah Iliinsky
Epidemiology visualized: the prosecutor's fallacy
American journal of epidemiology
design heterogeneous catalysts relies understanding fundamental surface kinetics controls catalyst performance microkinetic modeling tool help researcher streamlining process catalyst design microkinetic modeling used identify critical reaction intermediates ratedetermining elementary reactions thereby providing vital information designing improved catalyst review summarize general procedures developing microkinetic models using reaction kinetics parameters obtained experimental data theoretical correlations quantum chemical calculations examine methods required ensure thermodynamic consistency microkinetic model describe procedures required parameter adjustments account heterogeneity catalyst inherent errors parameter estimation discuss analysis microkinetic models determine ratedetermining reactions using degree rate control reversibility elementary reaction introduce incorporation brnstedevanspolanyi relations scaling relations microkinetic models effects relations catalytic performance formation volcano curves discussed review analysis reaction schemes terms maximum rate elementary reactions outline procedure identify kinetically significant transition states adsorbed intermediates explore application generalized rate expressions prediction optimal binding energies important surface intermediates estimate extent potential rate improvement also explore application microkinetic modeling homogeneous catalysis electrocatalysis transient reaction kinetics conclude highlighting challenges opportunities application microkinetic modeling catalyst design