This paper designs two molds based on stainless steel X39CrMo17-1, and studies their thermo-mechanical behavior through finite-element simulation on SolidWorks. Based on the simulation results, detailed analysis was carried out on the following aspects: the fluid distribution on the edge of each mode in a hot blowing cycle, the temperature distribution during the injection of thermoplastics, as well as the mechanical properties like deformation and stress resistances. The results show that, the two molds had no significant difference in air flow behavior at 30 bars; the variation of the airflow velocity field was less pronounced on the inner wall; the thermal stress was homogenous in both molds; the drawing rate on the inner wall was much higher than that on the outer wall; the two molds had no significant elastic deformation under 150kN. Overall, the designed molds can keep the crystallization temperatures of the polyethylene terephthalate (PET).