We report here multiphase direct numerical simulations of a recently discovered passive mechanism of self-cleaning on superhydrophobic surfaces. The removal of contaminants is governed by coalescence of a single droplet with a particle of micrometer size, where the droplet initiates spontaneous spreading on the particle and drives particle–droplet jumping. We use an in-house volume of fluid–immersed boundary numerical framework, introduce and thoroughly analyze capillary forces at the particle–droplet contact line, and validate our simulations in relation to previous experimental results. We then perform a comprehensive investigation over a number of different parameters regarding the interaction physics of the droplet with the particle and the substrate. We systematically vary particle, droplet, and surface physical and wetting properties and unveil a range of scenarios related to different energy dissipation mechanisms as a function of the substrate contact angles and contact-angle hysteresis. Detailed parameter studies establish the connection between the droplet, substrate and particle properties, and the outcome and efficiency of the particle-launching process. We particularly highlight the effects of the particle–droplet size ratio and the wettability of the particle. We reveal and discuss the corresponding dissipation mechanisms and quantify the energy efficiencies of the jumping process in the treated parameter space.