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The aim of this work is the description of the chain formation phenomenaobserved in colloidal suspensions of superparamagnetic nanoparticles under highmagnetic fields. We propose a new methodology based on an on-the-flyCoarse-Grain (CG) model. Within this approach, the coarse grain objects of thesimulation are not fixed a priori at the beginning of the simulation but ratherredefined on the fly. The motion of the CG objects (single particles oraggregates) is described by an anisotropic diffusion model and the magneticdipole-dipole interaction is replaced by an effective short range interactionbetween CG objects. The new methodology correctly reproduces previous resultsfrom detailed Langevin Dynamics simulations of dispersions of superparamagneticcolloids under strong fields whilst requiring an amount of CPU time orders ofmagnitude smaller. This substantial improvement in the computationalrequirements allows the simulation of problems in which the relevant phenomenaextends to time scales inaccessible with previous simulation techniques. Arelevant example is the waiting time dependence of the relaxation time T_2 ofwater protons observed in Magnetic Resonance experiments containing dispersionsof superparamagnetic colloids, which is correctly predicted by our simulations.Future applications may include other popular real-world applications ofsuperparamagnetic colloids such as the magnetophoretic separation processes.

On-the-fly coarse-graining methodology for the simulation of chain formation of superparamagnetic colloids in strong magnetic fields