In order to address the challenge of optimization of pressure swing adsorption systems, an optimization framework based on pseudo transient continuation method was used and a corresponding library with several models was established for simulation of more complex processes. Then, two vacuum pressure swing adsorption processes for oxygen and nitrogen production were considered as case studies and the results based on the single discretization and pseudo transient method were compared and analyzed in detail. Besides, a new strategy was proposed for the stability and efficiency of simulation. Finally, reduced successive quadratic programming and time relaxation algorithm were used for the optimization of the two systems, respectively, and the results showed that the time relaxation algorithm based on the pseudo transient framework has a strong advantage in saving optimization time cost compared with the former.