8th Liquid Matter Conference September 6-10, 2011 Wien, Austria ...

P7.18Thu 811:10-14:00Effective forces for the dissipative particle dynamics of asolution confined in a cylinderPedro J. Colmenares, 1 Oscar Paredes, 1 and Israel Parada-Puig 11 Universidad de Los Andes, Fac. de Ciencias. Dpto. de Química, 5101, Mérida,VenezuelaThis work deals with the quantification of the interactions among structural agglomerates of mesoscopicparticles under the Dissipative Particle Dynamics (DPD) framework. The solution is modeledas spheres dispersed in point–like DPD solvent particles whose diffusion is constrained to acylinder. The solute and the cylinder walls are composed by frozen DPD fluid particles in order toincorporate the effect of their geometrical structure on the forces between them. We use Revengaet al. formalism [M. Revenga, I. Zúñiga and P. Español. Comp. Phys. Com. 9, 121 (1999)] todetermine analytical expressions for the effective forces between the pairs sphere-sphere, pointsphere,point-cylinder and sphere-cylinder, respectively. We found, as expected, that numericalcomputation of the conservative, dissipative and random forces are no longer linear as the originalDPD prescribes, but depend on both, the radii of the sphere and the cylinder. This model could beused to simulate the flow and/or diffusion of spherical colloidal fluids at a mesoscopic level.18