Issue No. 02 - March-April (2012 vol. 14)
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/MCSE.2011.40
Venkatasubramanian Viswanathan , Stanford University
Frank Wang , Stanford University
Heinz Pitsch , Stanford University
<p>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.</p>
Monte Carlo, nanoparticles, catalysis, electrochemistry, scientific computing
F. Wang, V. Viswanathan and H. Pitsch, "Monte Carlo-Based Approach for Simulating Nanostructured Catalytic and Electrocatalytic Systems," in Computing in Science & Engineering, vol. 14, no. , pp. 60-69, 2011.