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A realistic and effective model to simulate phoretic Brownian dynamics swimmers based on the general form of the thermophoretic force is here presented. The collective behavior of self-phoretic dimers is investigated with this model and compared with two simpler versions, allowing the understanding of the subtle interplay of steric interactions, propulsion, and phoretic effects. The phoretic Brownian dynamics method has control parameters which can be tuned to closely map the properties of experiments or simulations with explicit solvent, in particular those performed with multiparticle collision dynamics. The combination of the phoretic Brownian method and multiparticle collision dynamics is a powerful tool to precisely identify the importance of hydrodynamic interactions in systems of self-phoretic swimmers., (© 2022. The Author(s).)

In contrast to most real fluids, angular momentum is not a locally conserved quantity in some mesoscopic simulation methods. Here we quantify the importance of this conservation in the flow fields associated with different colloidal systems. The flow field is analytically calculated with and without angular momentum conservation for the multiparticle collision dynamics (MPC) method, and simulations are performed to verify the predictions. The flow field generated around a colloidal particle moving under an external force with slip boundary conditions depends on the conservation of angular momentum, and the amplitude of the friction force is substantially affected. Interestingly, no dependence on the angular momentum conservation is found for the flow fields generated around colloids under the influence of phoretic forces. Moreover, circular Couette flow between a no-slip and a slip cylinder is investigated, which allows us to validate one of the two existing expressions for the MPC stress tensor.

A temperature gradient induces different driving forces on the components of a mixture which translates into their segregation. We show that these driving forces constitute the physical picture behind the thermodiffusion effect, and provide an alternative expression of the Soret coefficient which can be applied to both colloidal suspensions and molecular mixtures. To verify the validity of the formalism, we quantify the related forces in an Eulerian reference frame by non-equilibrium molecular simulations. Furthermore, we present an analytical argument to show that the hydrodynamic interactions need to be accounted for to obtain the proper scaling of the thermophoretic force. This result combined with the presented expression satisfactorily explains the experimentally known size dependence of the thermodiffusion coefficient in dilute polymer solutions.

Molecular-dynamics-coupled multiparticle collision dynamic (MPC-MD) simulations have emerged to be an efficient and versatile tool in the description of mesoscale colloidal dynamics. However, the compressibility of the coarse-grained fluid leads to this method being prone to spurious depletion interactions that may dominate the colloidal dynamics. In this paper, we review the existing methodology to deal with these interactions, establish and report depletion measurements, and present a method to avoid artificial depletion in mesoscale simulation methods. [ABSTRACT FROM AUTHOR]

Hydrodynamic simulations of strongly attractive rodlike colloids are performed with and without shear flow. In the absence of flow, the isotropic-nematic coexistence becomes isotropic-smectic A, and the interfacial properties clearly vary with increasing attraction strength. In the presence of shear flow, a new collective rotation appears in which the director rotates in the vorticity-flow plane in a similar fashion to the movement of the rotor of a helicopter. [ABSTRACT FROM AUTHOR]