When fabricating polymer nanocomposites (PNCs), it is difficult for nanoparticles to disperse stably in polymer matrix since their high-surface energy can cause them to attract each other. In this paper, we review the effects of nanoparticle size, surface chemical properties, and thermodynamic parameters on the dispersion state of nanoparticles (including inorganic and organic particles) in PNCs and describe some key measures to promote the nanoparticles dispersion. The ideal nanoparticles dispersion in polymer melt is available when the particle size is smaller than the rotation radius of polymer chains and the particle surface is highly compatible or has interactions with the matrix. In polymer solution, establishing proper thermodynamic parameters is necessary to ensure the balance interactions among particles, solvents, and polymers, leading to the successful preparation of PNCs with ideal structure. These results could supply theoretical suggestions for the design of PNCs. Moreover, the equilibrium dispersion may be unavailable without reasonable kinetic parameters, even if the dispersion process is thermodynamically favorable. Therefore, more studies are required on both thermodynamics and kinetics of the dispersion process.