Monte Carlo algorithms for complex surface reaction mechanisms: Efficiency and accuracy

DOI10.1006/jcph.2001.6877zbMath0987.65004OpenAlexW2036223873MaRDI QIDQ5953234

S. Raimondeau, Dionisios G. Vlachos, J. S. Reese

Publication date: 27 January 2002

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.2001.6877

zbMATH Keywords

CO oxidation kineticscomplex surface reactioncontinuous-time Monte Carlo algorithmnull-event algorithm

Mathematics Subject Classification ID

Related Items (5)

Coarse-grained stochastic processes and Monte Carlo simulations in lattice systems. ⋮ Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems ⋮ A first-passage kinetic Monte Carlo algorithm for complex diffusion-reaction systems ⋮ Coarse-grained stochastic processes for microscopic lattice systems ⋮ Temporal acceleration of spatially distributed kinetic Monte Carlo simulations

Uses Software

• CHEMKIN

Cites Work

• Saturation transition in a monomer-monomer model of heterogeneous catalysis
• Equation of State Calculations by Fast Computing Machines

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