关键词: 变压吸附, 模拟, 优化, 循环稳态定义, 灵敏度分析

Abstract: Efficient numerical simulations and optimizations of pressure swing adsorption (PSA) can replace many expensive and time-consuming laboratory studies and allow the rapid evaluation of innovative and creative PSA designs. This paper summarized the partial differential and algebraic equations involved in the numerical simulation and optimization of PSA process，and compared the applications of 1D，2D and 3D models in the description of PSA process. The numerical methods adopted to simulate PSA process were briefly introduced，and the switching modes of boundary conditions between adjacent steps as well as the forms and methods used to discretize the partial differential equations were further reviewed. Recent developments of optimizing PSA process were discussed，and cyclic steady state definition and optimization algorithms were compared and analyzed. Some research examples demonstrated the applications of PSA simulation and optimization in oxygen generation，hydrogen generation，and carbon dioxide capture etc. Commercial software in PSA process optimization were also discussed. The existing problems and the future prospect of the numerical simulation and optimization of PSA process were pointed out.

Key words: pressure swing adsorption, simulation, optimization, cyclic steady state definition, sensitivities analysis