A mesoscopic hydrodynamic model to simulate synthetic self-propelled Janus particles which is thermophoretically or diffusiophoretically driven is here developed. We first propose a model for a passive colloidal sphere which reproduces the correct rotational dynamics together with strong phoretic effect. This colloid solution model employs a multiparticle collision dynamics description of the solvent, and combines potential interactions with the solvent, with stick boundary conditions. Asymmetric and specific colloidal surface is introduced to produce the properties of self-phoretic Janus particles. A comparative study of Janus and microdimer phoretic swimmers is performed in terms of their swimming velocities and induced flow behavior. Self-phoretic microdimers display long range hydrodynamic interactions and can be characterized as pullers or pushers. In contrast, Janus particles are characterized by short range hydrodynamic interactions and behave as neutral swimmers. Our model nicely mimics those recent experimental realization of the self-phoretic Janus particles.

We consider a nanodimer in solution with asymmetric thermal properties that shows self-propelled motion. One monomer of the nanodimer can be heated to a fixed temperature producing a radially symmetric temperature gradient. The thermophoretic properties of the second monomer produce then a propulsion against or toward the heated particle, such that the nanodimer becomes a puller or pusher nanoswimmer. We combine our simulation measurements with a theoretical analysis that satisfactorily characterizes the self-propelled velocity with the temperature gradient, and the thermophoretic properties of the bead.

The swimming properties of an E. coli-type model bacterium are investigated by mesoscale hydrodynamic simulations, combining molecular dynamics simulations of the bacterium with the multiparticle particle collision dynamics method for the embedding fluid. The bacterium is composed of a spherocylindrical body with attached helical flagella, built up from discrete particles for an efficient coupling with the fluid. We measure the hydrodynamic friction coefficients of the bacterium and find quantitative agreement with experimental results of swimming E. coli. The flow field of the bacterium shows a force-dipole-like pattern in the swimming plane and two vortices perpendicular to its swimming direction arising from counterrotation of the cell body and the flagella. By comparison with the flow field of a force dipole and rotlet dipole, we extract the force-dipole and rotlet-dipole strengths for the bacterium and find that counterrotation of the cell body and the flagella is essential for describing the near-field hydrodynamics of the bacterium.