Catalyst particle shapes and pore structure engineering are crucial for alleviating internal diffusion limitations in the hydrodesulfurization (HDS)/hydrodenitrogenation (HDN) of gas oil. The effects of catalyst particle shapes (sphere, cylinder, trilobe, and tetralobe) and pore structures (pore diameter and porosity) on HDS/HDN performance at the particle scale are investigated via mathematical modeling. The relationship between particle shape and effectiveness factor is first established, and the specific surface areas of different catalyst particles show a positive correlation with the average HDS/HDN reaction rates. The catalyst particle shapes primarily alter the average HDS/HDN reaction rate to adjust the HDS/HDN effectiveness factor. An optimal average HDS/HDN reaction rate exists as the catalyst pore diameter and porosity increase, and this optimum value indicates a tradeoff between diffusion and reaction. In contrast to catalyst particle shapes, the catalyst pore diameter and the porosity of catalyst particles primarily alter the surface HDS/HDN reaction rate to adjust the HDS/HDN effectiveness factor. This study provides insights into the engineering of catalyst particle shapes and pore structures for improving HDS/HDN catalyst particle efficiency.

催化剂颗粒形状和孔结构工程对于缓解瓦斯油加氢脱硫 (HDS)/加氢脱氮 (HDN) 中的内部扩散限制至关重要。通过数学模型研究了催化剂颗粒形状（球形、圆柱形、三叶形和四叶形）和孔结构（孔径和孔隙率）对颗粒尺度 HDS/HDN 性能的影响。首次建立颗粒形状与有效性因子之间的关系，不同催化剂颗粒的比表面积与平均HDS/HDN反应速率呈正相关。催化剂颗粒形状主要改变平均 HDS/HDN 反应速率以调整 HDS/HDN 有效性因子。随着催化剂孔径和孔隙率的增加，存在最佳的平均 HDS/HDN 反应速率，这个最佳值表明了扩散和反应之间的权衡。与催化剂颗粒形状相比，催化剂孔径和催化剂颗粒的孔隙率主要改变表面 HDS/HDN 反应速率以调整 HDS/HDN 有效性因子。本研究为提高 HDS/HDN 催化剂颗粒效率的催化剂颗粒形状和孔结构工程提供了见解。