Hydrogen reuse and purification reuse are two main methods to conserve hydrogen resources in refineries. They are achieved by hydrogen allocation networks and purification units such as pressure swing adsorption (PSA). To take full advantage of both the methods, the hydrogen allocation networks and the purification units should be designed simultaneously. However, the simultaneous design has not been carried out yet. To address such design problems, an accurate mathematical model is built first and verified by experimental results. A kriging-based PSA model is established to provide the simplified form of the rigorous model. Then it is combined with the hydrogen network model. The results of a case study show that the integrated model can achieve simultaneous optimization of the design parameters of both PSA and network structure. The comparison between the optimized results and the simulated results proves the accuracy of the PSA model. The model can also avoid the adverse effects of unreasonable parameters in the shortcut models.