Thermoplastic polyurethane (TPU)/leucine (Leu) anticorrosion strippable films TPU/Leu-1、TPU/Leu-2、TPU/Leu-3 before and after compatibilization modified were prepared. The anticorrosion resistance performance of films were investigated by salt water test, tafel polarization curve and electrochemical impedance spectroscopy(EIS). Proceed from the inhibition corrosion of films on the diffusion of corrosive particles to carbon steel surface, the diffusion behavior of corrosive particles and the anticorrosion action of three kinds of TPU/Leu anticorrosive strippable films were studied by molecular dynamics simulation method. The results showed that the χ of TPU and Leu was less than χc and the δ and CED increased after adding compatibilizer KH-560 and E44. RDF results showed that the interaction force between components of strippable films and compatibilizers mainly included hydrogen bonding and electrostatic adsorption. It indicated that KH-560 and E44 can play an important role in improving compatibility of TPU/Leu strippable films. The corrosion potential of TPU/Leu-1 was -0.430V, while corrosion potential values of TPU/Leu-2 and TPU/Leu-3 increased to -0.320V and -0.348V. It illustrated that the corrosion resistance of strippable films were improved after modification. The diffusion of MD simulation results showed that self diffusion performance and D declined adding compatibilizer. Meanwhile, FFVH2O(TPU/Leu-2)＜FFVH2O(TPU/Leu-3)＜FFVH2O(TPU/Leu-1), FFVCl-(TPU/Leu-2)＜FFVCl-(TPU/Leu-3)＜FFVCl-(TPU/Leu-1). The result showed description of strippable films inhibit the diffusion behavior, in which the inhibition effect of KH-560 modified TPU/Leu-2 was the most obvious.