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processes Review A Review of Numerical Research on the Pressure Swing Adsorption Process Runye Zhang 1, Yuanhui Shen 1, Zhongli Tang 1, Wenbin Li 2 and Donghui Zhang 1,* 1 2 * Correspondence: donghuizhang@tju.edu.cn Abstract: The pressure swing adsorption (PSA) process has been considered a promising method for gas separation and purification. However, experimental methods are time-consuming, and it is difficult to obtain the detailed changes in variables in the PSA process. This review focuses on the numerical research developed to realize the modelling, optimization and control of the cyclic PSA process. A complete one-dimensional mathematical model, including adsorption bed, auxiliary devices, boundary conditions and performance indicators, is summarized as a general modelling approach. Key simplified assumptions and special treatments for energy balance are discussed for model reliability. Numerical optimization models and control strategies are reviewed for the PSA process as well. Relevant attention is given to the combination of deep-learning technology with artificial-intelligence-based optimization algorithms and advanced control strategies. Challenges to further improvements in the adsorbent database establishment, multiscale computational mass transfer model, large-scale PSA facility design, numerical computations and algorithm robustness are identified. Keywords: PSA; numerical modelling; optimization; control 1. Introduction Pressure swing adsorption (PSA) is a typical cyclic process, in which multiple columns are interconnected and operated according to a specified sequence to realize gas separation and purification [1]. As a commercial, robust and flexible separation unit, PSA has been widely applied in the fields of air separation, hydrogen purification, carbon dioxide capture, biogas upgrading, low-concentration syngas enrichment and so on [2–6]. According to the principle of gas separation, the adsorption and desorption behavior of adsorbate—adsorbent pairs is closely related to the separation performance. Therefore, most efforts in PSA technology have focused on the use of adsorbents with high selectivity (material science), and the design/operation of efficient processes (engineering) [7]. Fabian et al. conducted a CO2-PSA warm gas separation technology with a ZnO sorbent for IGCC power plants, wherein the cost of electricity would reach up to 127.2 $/MWh within one year [8]. The practical cost of hydrogen production from steam reforming with a vacuum PSA unit was around 5 EUR/kg of hydrogen as well [9]. The naturally dynamic character and complexity of the PSA process occurring there required high investment and tedious features for experimental investigations [10]. In contrast, numerical simulations are recognized as the dominant method for research and optimization work at a reduced cost [11]. The numerical modeling and simulation of the PSA process has been established in a series of mathematical models comprising mass, momentum, and energy conservation, as well as thermodynamics and kinetics [12,13], which can be described by a set of second- order partial differential and algebraic equations (PDAEs) with initial conditions and The Research Center of Chemical Engineering, School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China; zhangrunye@tju.edu.cn (R.Z.); shenyh@tju.edu.cn (Y.S.); zltang@tju.edu.cn (Z.T.) Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China; richard@tju.edu.cn Citation: Zhang, R.; Shen, Y.; Tang, Z.; Li, W.; Zhang, D. A Review of Numerical Research on the Pressure Swing Adsorption Process. Processes 2022,10,812. https://doi.org/ 10.3390/pr10050812 Academic Editors: Simant Upreti and Federica Raganati Received: 17 January 2022 Accepted: 17 April 2022 Published: 20 April 2022 Publisher’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affil- iations. Copyright: © 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/). Processes 2022, 10, 812. https://doi.org/10.3390/pr10050812 https://www.mdpi.com/journal/processesPDF Image | Numerical Research on the Pressure Swing Adsorption Process
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