Study of mechanism of hydrogen production from formic acid decomposition on Cu(100) catalyst by using dynamic Monte Carlo

In this work, we investigated hydrogen production from formic acid decomposition on Cu (100) using dynamic Monte Carlo simulation. The mechanism, kinetic parameters, details of surface reactions of a lattice-gas model have been obtained by simulation. The simulated kinetics data are in good agreement with experimental data (TPD). These results confirm the obtained mechanism and kinetic parameters by simulation.