Application of response surface methodology and dynamic Monte Carlo simulation to study the hydrogen production from formic acid on Ni(100)

Abstract

In this research, the maximum yield of hydrogen production from formic acid on Ni(100) has been obtained using the response surface methodology (RSM) and dynamic Monte Carlo simulation (DMC). The RSM was utilized to evaluate the provision parameters in formic acid decomposition. The results of simulation were examined using RSM to optimize the hydrogen production by formic acid on Ni(100). Temperature, formic acid pressure and time of reaction as the effective variables were optimized to obtain the maximum yield of H2 production. The optimum conditions were estimated as temperature 140.17 °C, pressure 2.5×10−4 Pa and time of reaction 5.64 s. Using RSM and DMC simulation together, the yield of reaction was improved to a high value 80.25%.