Title :
Monte Carlo-Based Approach for Simulating Nanostructured Catalytic and Electrocatalytic Systems
Author :
Viswanathan, Venkatasubramanian ; Wang, Frank ; Pitsch, Heinz
Abstract :
This geometry-generation method within a Monte Carlo-based approach enables the simulation of kinetics on nanostructured catalytic and electrocatalytic systems relevant for industrial applications. The method is applicable to realistic catalyst geometries, and an industrially relevant system-fuel cell is studied as an example.
Keywords :
Monte Carlo methods; catalysis; catalysts; electrochemistry; nanostructured materials; Monte Carlo-based approach; catalyst geometry; fuel cell; geometry-generation method; nanostructured catalytic system; nanostructured electrocatalytic system; Chemicals; Equations; Geometry; Heuristic algorithms; Mathematical model; Monte Carlo methods; Nanoparticles; Monte Carlo; catalysis; electrochemistry; nanoparticles; scientific computing;
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/MCSE.2011.40
