Modeling and simulation of gas separations with spiral-wound membranes

Robert F. DeJaco; Kenneth Loprete; Kenneth Pennisi; Sudip Majumdar; J. Ilja Siepmann; Prodromos Daoutidis; Hannah Murnen; Michael Tsapatsis

doi:10.1002/aic.16274

Modeling and simulation of gas separations with spiral-wound membranes

Robert F. DeJaco, Kenneth Loprete, Kenneth Pennisi, Sudip Majumdar, J. Ilja Siepmann, Prodromos Daoutidis, Hannah Murnen, Michael Tsapatsis

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1 Scopus citations

Abstract

Models for gas separations with spiral-wound membranes are developed and found to exhibit good agreement with experiments performed on N₂/O₂ mixtures. The two-dimensional (2D) model can be accurately approximated by a one-dimensional (1D) surrogate model when the spacer widths are chosen to make the channel pressure drops small. Subsequently, the separation of propane/propylene mixtures from the recycle purge stream of a polypropylene reactor is investigated. Assuming ideal gas is found to lead to significant overestimations in membrane stage cuts (sometimes more than 10%), an extent comparable to that associated with extrapolating constant olefin permeance from a low-pressure condition. While olefin permeance can change significantly with pressure, using a constant-permeance formulation can result in a small (< 2.5%) underprediction in stage cut if the value for the permeance is taken from the feed condition. Finally, membrane properties and costs necessary for a viable separation process are discussed.

Original language	English (US)
Article number	e16274
Journal	AIChE Journal
Volume	66
Issue number	8
DOIs	https://doi.org/10.1002/aic.16274
State	Published - Aug 1 2020

Bibliographical note

Funding Information:
This material is primarily supported by the U.S. Department of Energy's (DOE) Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under Award Number DE‐EE000788, and also by the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award Number DE‐FG02‐17ER16362. The authors acknowledge the Minnesota Supercomputing Institute at the University of Minnesota (UMN) for providing computational resources that contributed to this work. R. F. D. thanks P. Constantino, C. Parrish, and M. Palys (UMN) for helpful conversations on finite‐difference techniques, T. Yang for discussions on P‐R EOS, and the reviewers for their helpful comments.

Funding Information:
This material is primarily supported by the U.S. Department of Energy's (DOE) Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under Award Number DE-EE000788, and also by the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award Number DE-FG02-17ER16362. The authors acknowledge the Minnesota Supercomputing Institute at the University of Minnesota (UMN) for providing computational resources that contributed to this work. R. F. D. thanks P. Constantino, C. Parrish, and M. Palys (UMN) for helpful conversations on finite-difference techniques, T. Yang for discussions on P-R EOS, and the reviewers for their helpful comments.

Funding Information:
U.S. Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, Grant/Award Number: DE‐FG02‐17ER16362; U.S. Department of Energy's Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office, Grant/Award Number: DE‐EE000788 Funding information

Publisher Copyright:
© 2020 American Institute of Chemical Engineers

Keywords

Membrane separations
computational fluid dynamics (CFD)
design (process simulation)
gas purification
mathematical modeling

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10.1002/aic.16274

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title = "Modeling and simulation of gas separations with spiral-wound membranes",

abstract = "Models for gas separations with spiral-wound membranes are developed and found to exhibit good agreement with experiments performed on N2/O2 mixtures. The two-dimensional (2D) model can be accurately approximated by a one-dimensional (1D) surrogate model when the spacer widths are chosen to make the channel pressure drops small. Subsequently, the separation of propane/propylene mixtures from the recycle purge stream of a polypropylene reactor is investigated. Assuming ideal gas is found to lead to significant overestimations in membrane stage cuts (sometimes more than 10%), an extent comparable to that associated with extrapolating constant olefin permeance from a low-pressure condition. While olefin permeance can change significantly with pressure, using a constant-permeance formulation can result in a small (< 2.5%) underprediction in stage cut if the value for the permeance is taken from the feed condition. Finally, membrane properties and costs necessary for a viable separation process are discussed.",

keywords = "Membrane separations, computational fluid dynamics (CFD), design (process simulation), gas purification, mathematical modeling",

author = "DeJaco, {Robert F.} and Kenneth Loprete and Kenneth Pennisi and Sudip Majumdar and Siepmann, {J. Ilja} and Prodromos Daoutidis and Hannah Murnen and Michael Tsapatsis",

note = "Funding Information: This material is primarily supported by the U.S. Department of Energy's (DOE) Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under Award Number DE‐EE000788, and also by the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award Number DE‐FG02‐17ER16362. The authors acknowledge the Minnesota Supercomputing Institute at the University of Minnesota (UMN) for providing computational resources that contributed to this work. R. F. D. thanks P. Constantino, C. Parrish, and M. Palys (UMN) for helpful conversations on finite‐difference techniques, T. Yang for discussions on P‐R EOS, and the reviewers for their helpful comments. Funding Information: This material is primarily supported by the U.S. Department of Energy's (DOE) Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under Award Number DE-EE000788, and also by the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award Number DE-FG02-17ER16362. The authors acknowledge the Minnesota Supercomputing Institute at the University of Minnesota (UMN) for providing computational resources that contributed to this work. R. F. D. thanks P. Constantino, C. Parrish, and M. Palys (UMN) for helpful conversations on finite-difference techniques, T. Yang for discussions on P-R EOS, and the reviewers for their helpful comments. Funding Information: U.S. Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, Grant/Award Number: DE‐FG02‐17ER16362; U.S. Department of Energy's Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office, Grant/Award Number: DE‐EE000788 Funding information Publisher Copyright: {\textcopyright} 2020 American Institute of Chemical Engineers",

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AU - DeJaco, Robert F.

AU - Loprete, Kenneth

AU - Pennisi, Kenneth

AU - Majumdar, Sudip

AU - Siepmann, J. Ilja

AU - Daoutidis, Prodromos

AU - Murnen, Hannah

AU - Tsapatsis, Michael

N1 - Funding Information: This material is primarily supported by the U.S. Department of Energy's (DOE) Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under Award Number DE‐EE000788, and also by the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award Number DE‐FG02‐17ER16362. The authors acknowledge the Minnesota Supercomputing Institute at the University of Minnesota (UMN) for providing computational resources that contributed to this work. R. F. D. thanks P. Constantino, C. Parrish, and M. Palys (UMN) for helpful conversations on finite‐difference techniques, T. Yang for discussions on P‐R EOS, and the reviewers for their helpful comments. Funding Information: This material is primarily supported by the U.S. Department of Energy's (DOE) Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office under Award Number DE-EE000788, and also by the U.S. Department of Energy's Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award Number DE-FG02-17ER16362. The authors acknowledge the Minnesota Supercomputing Institute at the University of Minnesota (UMN) for providing computational resources that contributed to this work. R. F. D. thanks P. Constantino, C. Parrish, and M. Palys (UMN) for helpful conversations on finite-difference techniques, T. Yang for discussions on P-R EOS, and the reviewers for their helpful comments. Funding Information: U.S. Department of Energy Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, Grant/Award Number: DE‐FG02‐17ER16362; U.S. Department of Energy's Office of Energy Efficient and Renewable Energy's Advanced Manufacturing Office, Grant/Award Number: DE‐EE000788 Funding information Publisher Copyright: © 2020 American Institute of Chemical Engineers

PY - 2020/8/1

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N2 - Models for gas separations with spiral-wound membranes are developed and found to exhibit good agreement with experiments performed on N2/O2 mixtures. The two-dimensional (2D) model can be accurately approximated by a one-dimensional (1D) surrogate model when the spacer widths are chosen to make the channel pressure drops small. Subsequently, the separation of propane/propylene mixtures from the recycle purge stream of a polypropylene reactor is investigated. Assuming ideal gas is found to lead to significant overestimations in membrane stage cuts (sometimes more than 10%), an extent comparable to that associated with extrapolating constant olefin permeance from a low-pressure condition. While olefin permeance can change significantly with pressure, using a constant-permeance formulation can result in a small (< 2.5%) underprediction in stage cut if the value for the permeance is taken from the feed condition. Finally, membrane properties and costs necessary for a viable separation process are discussed.

AB - Models for gas separations with spiral-wound membranes are developed and found to exhibit good agreement with experiments performed on N2/O2 mixtures. The two-dimensional (2D) model can be accurately approximated by a one-dimensional (1D) surrogate model when the spacer widths are chosen to make the channel pressure drops small. Subsequently, the separation of propane/propylene mixtures from the recycle purge stream of a polypropylene reactor is investigated. Assuming ideal gas is found to lead to significant overestimations in membrane stage cuts (sometimes more than 10%), an extent comparable to that associated with extrapolating constant olefin permeance from a low-pressure condition. While olefin permeance can change significantly with pressure, using a constant-permeance formulation can result in a small (< 2.5%) underprediction in stage cut if the value for the permeance is taken from the feed condition. Finally, membrane properties and costs necessary for a viable separation process are discussed.

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KW - gas purification

KW - mathematical modeling

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Modeling and simulation of gas separations with spiral-wound membranes

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