Particulate matter is common in nature and engineering applications. The fine particles deposition in the room will cause material degradation, such as damage to artworks and electronic equipment; Particles deposited on the surface of the industrial equipment will collide and accumulate, causing equipment wear, blockage, and reduced performance, resulting in potential safety hazards. In this work, taking the particle collision, rebounding, and agglomeration into consideration, the coupled computational fluid dynamics-discrete element (CFD-DEM) method was employed to study the deposition mechanisms of particles on a rib-roughened surface. The results showed that the rough structure can generate turbulent vortexes in the vicinity, enhancing the entrainment of small particles, and creating a particle deposition velocity that is significantly higher than that of a smooth surface, which can be used for significant improvement of indoor air quality. However, the larger particles were rebounded after colliding with rough structure, resulting in the deposition velocity less than that of a smooth surface. Moreover, some particles were agglomerated and chain-like structures were formed due to the inter-particle adhesion force, and thus improved the deposition capability of particles. This work provides an important theoretical basis for pipeline cleaning, design, and maintenance.