Mass-Balance Separation-Limits Framework for Efficient PVSA Cycle Design

Abstract Pressure vacuum swing adsorption (PVSA) is a key technology for gas separations, yet its cycle design and optimization remain computationally demanding. This work introduces a mass-balance-informed workflow that significantly reduces the number of simulations required to design PVSA cycles. By applying separation-limits analysis and material-balance constraints, we define theoretical bounds on product purity and recovery, thereby narrowing the parameter space that requires a detailed evaluation. The heavy product-to-feed ratio (H/F) is identified as a critical design variable, and the optimization problem is framed around achieving target separation performance at specific H/F values. The methodology is demonstrated by designing a PVSA for nitrogen rejection using ZSM-5 at a feed flow rate of 1000 Nm3/h. Two adsorption cycles were evaluated to illustrate the approach. Results show that this strategy enables rapid feasibility screening, guides cycle refinement, and accelerates process development without relying on extensive simulations.