In this research, the maximum yield of hydrogen production from formic acid on Ni(1 0 0) 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(1 0 0). 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%.

在这项研究中，使用响应表面方法（RSM）和动态蒙特卡洛模拟（DMC）获得了在Ni（1 0 0）上甲酸生成氢的最大产率。RSM用于评估甲酸分解过程中的供应参数。使用RSM检验了模拟结果，以优化甲酸在Ni（1 0 0）上的产氢量。优化温度，甲酸压力和反应时间作为有效变量，以获得H ₂产生的最大产率。最佳条件估计为温度140.17°C，压力2.5×10 ^-4  Pa和反应时间5.64 s。一起使用RSM和DMC模拟，反应的产率提高到了80.25％的高值。