Physiologically based pharmacokinetic (PBPK) modeling is established based on the information of existing human or other animal anatomy, knowledge of physiology and biochemical data. The model uses mathematical methods to simulate chemicals′process of absorption, distribution, metabolism and excretion in the body, in order to achieve the dose and interspecific extrapolation and to predict the chemical level in the specific organ at the specific time. In studies on toxicology of nanomaterials, the PBPK models in the silver nanoparticles, zinc oxide nanoparticles, titanium dioxide nanoparticles and polymer nanomaterials are gradually established. PBPK modeling can not only provide information on the dynamic change of nanomaterials in the body, but is of great significance for to quantitative evaluation of biological safety of nanomaterials. PBPK modeling will be a hot spot for research in the field of nanotoxicology.