The study was dedicated to the mathematical modeling of the catalytic autothermal reforming (ATR) of diesel fuel – effective method for hydrogen production. The structured wire mesh Rh/Ce_0.75Zr_0.25O_2-δ-η-Al₂O₃/FeCrAl catalyst was tested in pilot scale reactor and showed high efficiency in studied diesel autothermal reaction conditions. The process simulation was carried out by commercial software COMSOL Multiphysics in 2D axisymmetric geometry. The catalyst module was simulated as homogeneous porous medium. Reaction model included diesel oxidation, diesel steam reforming, water-gas shift reaction, CO methanation, CO oxidation and hydrogen oxidation. Fitting the experimental results including product distribution and temperature profile allowed to define the kinetic parameters corresponding to the best fit. The suggested simple quasi-homogeneous model describes experimental results (module temperature and outlet gas composition) with a good accuracy and could be used for process optimization and up-scaling.

该研究致力于柴油燃料催化自热重整（ATR）的数学模型-高效的制氢方法。结构化金属丝网的Rh / CE _0.75锆_0.25 ö _2- δ-η-Al系₂ ö ₃/ FeCrAl催化剂在中试规模的反应器中进行了测试，在研究的柴油自热反应条件下显示出高效率。通过商业软件COMSOL Multiphysics在2D轴对称几何中进行过程仿真。将催化剂模块模拟为均相多孔介质。反应模型包括柴油氧化，柴油蒸汽重整，水煤气变换反应，CO甲烷化，CO氧化和氢氧化。拟合实验结果（包括产品分布和温度曲线）可以定义与最佳拟合相对应的动力学参数。建议的简单准均质模型以良好的精度描述了实验结果（模块温度和出口气体成分），可用于过程优化和放大。