LAPSE:2024.1554
Published Article

LAPSE:2024.1554
Equation-Oriented Modeling of Water-Gas Shift Membrane Reactor for Blue Hydrogen Production
August 16, 2024. Originally submitted on 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.
Record ID
Subject
Suggested Citation
Agi DT, Hawa HAE, Dowling AW. Equation-Oriented Modeling of Water-Gas Shift Membrane Reactor for Blue Hydrogen Production. Systems and Control Transactions 3:395-402 (2024) https://doi.org/10.69997/sct.152308
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
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
395
Last Page
402
Year
2024
Publication Date
2024-07-10
Version Comments
DOI Assigned
Other Meta
PII: 0395-0402-676082-SCT-3-2024, Publication Type: Journal Article
Record Map
Published Article

LAPSE:2024.1554
This Record
External Link

https://doi.org/10.69997/sct.152308
Article DOI
Download
Meta
Links to Related Works