LAPSE:2024.1554v1
Published Article
LAPSE:2024.1554v1
Equation-Oriented Modeling of Water-Gas Shift Membrane Reactor for Blue Hydrogen Production
Damian T. Agi, Hani A. E. Hawa, Alexander W. Dowling
July 9, 2024
Water-gas shift membrane reactors (WGS-MRs) offer a pathway to affordable blue H2 generation/purification from gasified feedstock or reformed fuels. To exploit their cost benefits for blue hydrogen production, WGS-MRs’ performance needs to be optimized, which includes navigating the multidimensional design space (e.g., temperature, feed pressures, space velocity, membrane permeance and selectivity, catalytic performance). This work describes an equation-oriented modeling framework for WGS-MRs in the Pyomo ecosystem, with an emphasis on model scaling and multi-start initialization strategies to facilitate reliable convergence with nonlinear optimization solvers. We demonstrate, through sensitivity analysis, that our model converges rapidly (< 1 CPU second on a laptop computer) under a wide range of operating parameters (e.g., feed pressures of 1-3 MPa, reactor temperatures of 624-824 K, sweep-to-feed ratios of 0-0.5, and steam/carbon ratios of 1-5). Ongoing work includes (1) validation and calibration of the WGS-MR model using benchtop laboratory data and (2) design, intensification, and optimization of blue H2 processes using the WGS-MR model.
Keywords
Hydrogen, Membranes, Model Initialization, Modelling, Process Design, Water-Gas Shift
Suggested Citation
Agi DT, Hawa HAE, Dowling AW. Equation-Oriented Modeling of Water-Gas Shift Membrane Reactor for Blue Hydrogen Production. (2024). LAPSE:2024.1554v1
Author Affiliations
Agi DT: University of Notre Dame, Department of Chemical and Biomolecular Engineering, South Bend, IN, United States
Hawa HAE: Precision Combustion, Inc., North Haven, CT, United States
Dowling AW: University of Notre Dame, Department of Chemical and Biomolecular Engineering, South Bend, IN, United States
Journal Name
Systems and Control Transactions
Volume
3
First Page
152308
Year
2024
Publication Date
2024-07-10
Version Comments
Original Submission
Other Meta
PII: 0395-0402-676082-SCT-3-2024, Publication Type: Journal Article
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Jul 9, 2024
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Jul 9, 2024
 
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PSE Press