We numerically analyzed flow characteristics of the polymer melt in the screw equipment using a proper modeling and investigated design parameters which have influence on the mixing performance as the capability of the screw equipment. We considered the non-Newtonian and non-isothermal flow in a single rotor equipment to investigate the mixing performance with respect to screw dimensions as shape parameter of the single rotor equipment and screw speed as process parameter. We used Bird-Carreau-Yasuda model as a viscous model of the polymer melt and the particle tracking method to investigate the mixing performance in the screw equipment and considered four mixing performance indexes: residence time distribution, deformation rate, total strain and particle standard deviation as a new mixing performance index. We compared these indexes to determine design parameters and object function. On basis of the analysis results, we carried out the optimal design by using the response surface method and design of experiments. In conclusion, the differences of results between the optimal value and numerical analysis are about 5.0%.