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eyring_model.bib
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@article{zwolinski_diffusion_1949,
title = {Diffusion and {Membrane} {Permeability}.},
volume = {53},
issn = {0092-7023, 1541-5740},
url = {https://pubs.acs.org/doi/abs/10.1021/j150474a012},
doi = {10.1021/j150474a012},
abstract = {The behavior of the monolayers of three polyamide antifoams has been studied, and the effect on the monolayer of such factors as pH, molecular configuration, and the presence of alkaline earth ions and tannic acid, is reported. The results have been interpreted to explain some of the observed operating characteristics of the polyamide antifoams in terms of a recently proposed theory of their action.},
language = {en},
number = {9},
urldate = {2021-03-09},
journal = {J. Phys. Chem.},
author = {Zwolinski, Bruno J. and Eyring, Henry and Reese, Cecil E.},
month = sep,
year = {1949},
pages = {1426--1453},
}
@article{coscia_understanding_2019,
title = {Understanding the {Nanoscale} {Structure} of {Inverted} {Hexagonal} {Phase} {Lyotropic} {Liquid} {Crystal} {Polymer} {Membranes}},
volume = {123},
issn = {1520-6106, 1520-5207},
url = {https://pubs.acs.org/doi/10.1021/acs.jpcb.8b09944},
doi = {10.1021/acs.jpcb.8b09944},
abstract = {Periodic, nanostructured porous polymer membranes made from the cross-linked inverted hexagonal phase of self-assembled lyotropic liquid crystals (LLCs) are a promising class of materials for selective separations. In this work, we investigate an experimentally characterized LLC polymer membrane using atomistic molecular modeling. In particular, we compare simulated X-ray diffraction (XRD) patterns with experimental XRD data to quantify and understand the differences between simulation and experiment. We find that the nanopores are likely composed of five columns of stacked LLC monomers which surround each hydrophilic core. Evidence suggests that these columns likely move independently of each other over longer time scales than accessible via atomistic simulation. We also find that wide-angle X-ray scattering structural features previously attributed to monomer tail tilt are likely instead due to ordered tail packing. Although this system has been reported as dry, we show that small amounts of water are necessary to reproduce all features from the experimental XRD pattern because of asymmetries introduced by hydrogen bonds between the monomer head groups and water molecules. Finally, we explore the composition and structure of the nanopores and reveal that there exists a composition gradient rather than an abrupt partition between the hydrophilic and hydrophobic regions. A caveat is that the time scales of the dynamics are extremely long for this system, resulting in simulated structures that appear too ordered, thus requiring careful examination of the metastable states observed in order to draw any conclusions. The clear picture of the nanoscopic structure of these membranes provided in this study will enable a better understanding of the mechanisms of smallmolecule transport within these nanopores.},
language = {en},
number = {1},
urldate = {2020-05-21},
journal = {The Journal of Physical Chemistry B},
author = {Coscia, Benjamin J. and Yelk, Joseph and Glaser, Matthew A. and Gin, Douglas L. and Feng, Xunda and Shirts, Michael R.},
month = jan,
year = {2019},
pages = {289--309},
}
@article{coscia_statistical_2020,
title = {Statistical {Inference} of {Transport} {Mechanisms} and {Long} {Time} {Scale} {Behavior} from {Time} {Series} of {Solute} {Trajectories} in {Nanostructured} {Membranes}},
issn = {1520-6106, 1520-5207},
url = {https://pubs.acs.org/doi/10.1021/acs.jpcb.0c05010},
doi = {10.1021/acs.jpcb.0c05010},
language = {en},
urldate = {2020-08-26},
journal = {The Journal of Physical Chemistry B},
author = {Coscia, Benjamin J. and Calderon, Christopher P. and Shirts, Michael R.},
month = aug,
year = {2020},
annote = {SS notes:
Question: How does direct calculation of diffusion constants obscure molecular mechanism
Use HDP-AT-HMM to predict macroscopic transport properties and to uncover underlying transport mechanism.},
}
@article{kim_permeability_2022,
title = {Permeability of {Polymer} {Membranes} beyond {Linear} {Response}},
volume = {55},
issn = {0024-9297, 1520-5835},
url = {https://pubs.acs.org/doi/10.1021/acs.macromol.2c00605},
doi = {10.1021/acs.macromol.2c00605},
language = {en},
number = {16},
urldate = {2022-10-04},
journal = {Macromolecules},
author = {Kim, Won Kyu and Milster, Sebastian and Roa, Rafael and Kanduč, Matej and Dzubiella, Joachim},
month = aug,
year = {2022},
pages = {7327--7339},
file = {Submitted Version:/home/nate/snap/zotero-snap/common/Zotero/storage/SFEYSZ3R/Kim et al. - 2022 - Permeability of Polymer Membranes beyond Linear Re.pdf:application/pdf},
}
@article{venable_molecular_2019,
title = {Molecular {Dynamics} {Simulations} of {Membrane} {Permeability}},
volume = {119},
issn = {0009-2665, 1520-6890},
url = {https://pubs.acs.org/doi/10.1021/acs.chemrev.8b00486},
doi = {10.1021/acs.chemrev.8b00486},
language = {en},
number = {9},
urldate = {2022-10-04},
journal = {Chem. Rev.},
author = {Venable, Richard M. and Krämer, Andreas and Pastor, Richard W.},
month = may,
year = {2019},
pages = {5954--5997},
file = {Accepted Version:/home/nate/snap/zotero-snap/common/Zotero/storage/UXAGHGEV/Venable et al. - 2019 - Molecular Dynamics Simulations of Membrane Permeab.pdf:application/pdf},
}
@article{dickson_structurekinetic_2017,
title = {Structure–{Kinetic} {Relationships} of {Passive} {Membrane} {Permeation} from {Multiscale} {Modeling}},
volume = {139},
issn = {0002-7863, 1520-5126},
url = {https://pubs.acs.org/doi/10.1021/jacs.6b11215},
doi = {10.1021/jacs.6b11215},
language = {en},
number = {1},
urldate = {2022-10-04},
journal = {J. Am. Chem. Soc.},
author = {Dickson, Callum J. and Hornak, Viktor and Pearlstein, Robert A. and Duca, Jose S.},
month = jan,
year = {2017},
pages = {442--452},
}
@article{shefer_applying_2022,
title = {Applying {Transition}-{State} {Theory} to {Explore} {Transport} and {Selectivity} in {Salt}-{Rejecting} {Membranes}: {A} {Critical} {Review}},
volume = {56},
issn = {0013-936X, 1520-5851},
shorttitle = {Applying {Transition}-{State} {Theory} to {Explore} {Transport} and {Selectivity} in {Salt}-{Rejecting} {Membranes}},
url = {https://pubs.acs.org/doi/10.1021/acs.est.2c00912},
doi = {10.1021/acs.est.2c00912},
language = {en},
number = {12},
urldate = {2022-10-04},
journal = {Environ. Sci. Technol.},
author = {Shefer, Idit and Lopez, Kian and Straub, Anthony P. and Epsztein, Razi},
month = jun,
year = {2022},
pages = {7467--7483},
}
@article{del_castillo_energy-barrier_1979,
title = {Energy-barrier models for membrane transport},
volume = {9},
issn = {03014622},
url = {https://linkinghub.elsevier.com/retrieve/pii/0301462279870052},
doi = {10.1016/0301-4622(79)87005-2},
language = {en},
number = {2},
urldate = {2022-10-04},
journal = {Biophysical Chemistry},
author = {Del Castillo, L.F. and Mason, E.A. and Viehland, Lany A.},
month = jan,
year = {1979},
pages = {111--120},
}
@article{lopez_enthalpic_2017,
title = {Enthalpic {Effects} of {Chain} {Length} and {Unsaturation} on {Water} {Permeability} across {Droplet} {Bilayers} of {Homologous} {Monoglycerides}},
volume = {33},
issn = {0743-7463, 1520-5827},
url = {https://pubs.acs.org/doi/10.1021/acs.langmuir.6b03932},
doi = {10.1021/acs.langmuir.6b03932},
language = {en},
number = {4},
urldate = {2022-10-04},
journal = {Langmuir},
author = {Lopez, Maria and Evangelista, Sue Ellen and Morales, Melissa and Lee, Sunghee},
month = jan,
year = {2017},
pages = {900--912},
}
@article{balaz_modeling_2009,
title = {Modeling {Kinetics} of {Subcellular} {Disposition} of {Chemicals}},
volume = {109},
issn = {0009-2665, 1520-6890},
url = {https://pubs.acs.org/doi/10.1021/cr030440j},
doi = {10.1021/cr030440j},
language = {en},
number = {5},
urldate = {2022-10-04},
journal = {Chem. Rev.},
author = {Balaz, Stefan},
month = may,
year = {2009},
pages = {1793--1899},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/9XKP3NUT/Balaz - 2009 - Modeling Kinetics of Subcellular Disposition of Ch.pdf:application/pdf},
}
@article{wijmans_solution-diffusion_1995,
title = {The solution-diffusion model: a review},
volume = {107},
issn = {03767388},
shorttitle = {The solution-diffusion model},
url = {https://linkinghub.elsevier.com/retrieve/pii/037673889500102I},
doi = {10.1016/0376-7388(95)00102-I},
language = {en},
number = {1-2},
urldate = {2023-04-01},
journal = {Journal of Membrane Science},
author = {Wijmans, J.G. and Baker, R.W.},
month = nov,
year = {1995},
pages = {1--21},
}
@article{wendt_effect_1976,
title = {Effect of heteroporosity on flux equations for membranes},
volume = {4},
issn = {03014622},
url = {https://linkinghub.elsevier.com/retrieve/pii/0301462276800701},
doi = {10.1016/0301-4622(76)80070-1},
language = {en},
number = {3},
urldate = {2023-03-31},
journal = {Biophysical Chemistry},
author = {Wendt, R.P. and Mason, E.A. and Bresler, E.H.},
month = may,
year = {1976},
pages = {237--247},
}
@article{scheuplein_application_1968,
title = {On the application of rate theory to complex multibarrier flow co-ordinates: {Membrane} permeability},
volume = {18},
issn = {00225193},
shorttitle = {On the application of rate theory to complex multibarrier flow co-ordinates},
url = {https://linkinghub.elsevier.com/retrieve/pii/0022519368901719},
doi = {10.1016/0022-5193(68)90171-9},
language = {en},
number = {1},
urldate = {2023-03-31},
journal = {Journal of Theoretical Biology},
author = {Scheuplein, Robert J.},
month = jan,
year = {1968},
pages = {72--89},
}
@article{giddings_multi-barrier_1958,
title = {Multi-barrier {Kinetics}: {Nucleation}},
volume = {62},
issn = {0022-3654, 1541-5740},
shorttitle = {Multi-barrier {Kinetics}},
url = {https://pubs.acs.org/doi/abs/10.1021/j150561a014},
doi = {10.1021/j150561a014},
language = {en},
number = {3},
urldate = {2023-03-31},
journal = {J. Phys. Chem.},
author = {Giddings, J. Calvin and Eyring, Henry},
month = mar,
year = {1958},
pages = {305--308},
}
@article{epsztein_towards_2020,
title = {Towards single-species selectivity of membranes with subnanometre pores},
volume = {15},
issn = {1748-3387, 1748-3395},
url = {http://www.nature.com/articles/s41565-020-0713-6},
doi = {10.1038/s41565-020-0713-6},
language = {en},
number = {6},
urldate = {2023-04-03},
journal = {Nat. Nanotechnol.},
author = {Epsztein, Razi and DuChanois, Ryan M. and Ritt, Cody L. and Noy, Aleksandr and Elimelech, Menachem},
month = jun,
year = {2020},
pages = {426--436},
file = {Submitted Version:/home/nate/snap/zotero-snap/common/Zotero/storage/DMR5FM4L/Epsztein et al. - 2020 - Towards single-species selectivity of membranes wi.pdf:application/pdf},
}
@article{shefer_enthalpic_2021,
title = {Enthalpic and {Entropic} {Selectivity} of {Water} and {Small} {Ions} in {Polyamide} {Membranes}},
volume = {55},
issn = {0013-936X, 1520-5851},
url = {https://pubs.acs.org/doi/10.1021/acs.est.1c04956},
doi = {10.1021/acs.est.1c04956},
language = {en},
number = {21},
urldate = {2023-04-03},
journal = {Environ. Sci. Technol.},
author = {Shefer, Idit and Peer-Haim, Ophir and Leifman, Olga and Epsztein, Razi},
month = nov,
year = {2021},
pages = {14863--14875},
}
@article{white_theoretical_2022,
title = {Theoretical {Pathway} toward {Improved} {Reverse} {Osmosis} {Membrane} {Selectivity} for {Neutral} {Solutes}: {Inspiration} from {Gas} {Separations}},
volume = {126},
issn = {1932-7447, 1932-7455},
shorttitle = {Theoretical {Pathway} toward {Improved} {Reverse} {Osmosis} {Membrane} {Selectivity} for {Neutral} {Solutes}},
url = {https://pubs.acs.org/doi/10.1021/acs.jpcc.2c06016},
doi = {10.1021/acs.jpcc.2c06016},
language = {en},
number = {45},
urldate = {2023-04-03},
journal = {J. Phys. Chem. C},
author = {White, Haley D. and Huang, Hannah G. and D’Amaro, Margaret C. and Mignone, Elise A. and Sholl, David S. and Lively, Ryan P.},
month = nov,
year = {2022},
pages = {19496--19506},
}
@article{freger_nanoscale_2003,
title = {Nanoscale {Heterogeneity} of {Polyamide} {Membranes} {Formed} by {Interfacial} {Polymerization}},
volume = {19},
issn = {0743-7463, 1520-5827},
url = {https://pubs.acs.org/doi/10.1021/la020920q},
doi = {10.1021/la020920q},
language = {en},
number = {11},
urldate = {2023-04-18},
journal = {Langmuir},
author = {Freger, Viatcheslav},
month = may,
year = {2003},
pages = {4791--4797},
}
@article{pavluchkov_indications_2022,
title = {Indications of ion dehydration in diffusion-only and pressure-driven nanofiltration},
volume = {648},
issn = {03767388},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0376738822001053},
doi = {10.1016/j.memsci.2022.120358},
language = {en},
urldate = {2023-06-06},
journal = {Journal of Membrane Science},
author = {Pavluchkov, Vladislav and Shefer, Idit and Peer-Haim, Ophir and Blotevogel, Jens and Epsztein, Razi},
month = apr,
year = {2022},
pages = {120358},
}
@article{chu_variation_2021,
title = {Variation of free volume and thickness by high pressure applied on thin film composite reverse osmosis membrane},
volume = {520},
issn = {00119164},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0011916421004367},
doi = {10.1016/j.desal.2021.115365},
language = {en},
urldate = {2023-06-28},
journal = {Desalination},
author = {Chu, Kyoung Hoon and Mang, Ji Sung and Lim, Jihun and Hong, Seungkwan and Hwang, Moon-Hyun},
month = dec,
year = {2021},
pages = {115365},
}
@article{jue_ultrapermeable_2020,
title = {Ultra‐{Permeable} {Single}‐{Walled} {Carbon} {Nanotube} {Membranes} with {Exceptional} {Performance} at {Scale}},
volume = {7},
issn = {2198-3844, 2198-3844},
url = {https://onlinelibrary.wiley.com/doi/10.1002/advs.202001670},
doi = {10.1002/advs.202001670},
language = {en},
number = {24},
urldate = {2023-06-29},
journal = {Adv. Sci.},
author = {Jue, Melinda L. and Buchsbaum, Steven F. and Chen, Chiatai and Park, Sei Jin and Meshot, Eric R. and Wu, Kuang Jen J. and Fornasiero, Francesco},
month = dec,
year = {2020},
pages = {2001670},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/XP2WSSCQ/Jue et al. - 2020 - Ultra‐Permeable Single‐Walled Carbon Nanotube Memb.pdf:application/pdf},
}
@article{eyring_activated_1935,
title = {The {Activated} {Complex} and the {Absolute} {Rate} of {Chemical} {Reactions}.},
volume = {17},
issn = {0009-2665, 1520-6890},
url = {https://pubs.acs.org/doi/abs/10.1021/cr60056a006},
doi = {10.1021/cr60056a006},
language = {en},
number = {1},
urldate = {2023-07-18},
journal = {Chem. Rev.},
author = {Eyring, Henry.},
month = aug,
year = {1935},
pages = {65--77},
}
@article{laidler_development_1983,
title = {Development of transition-state theory},
volume = {87},
issn = {0022-3654, 1541-5740},
url = {https://pubs.acs.org/doi/abs/10.1021/j100238a002},
doi = {10.1021/j100238a002},
language = {en},
number = {15},
urldate = {2023-07-18},
journal = {J. Phys. Chem.},
author = {Laidler, Keith J. and King, M. Christine},
month = jul,
year = {1983},
pages = {2657--2664},
}
@article{wang_water_2023,
title = {Water transport in reverse osmosis membranes is governed by pore flow, not a solution-diffusion mechanism},
volume = {9},
issn = {2375-2548},
url = {https://www.science.org/doi/10.1126/sciadv.adf8488},
doi = {10.1126/sciadv.adf8488},
abstract = {We performed nonequilibrium molecular dynamics (NEMD) simulations and solvent permeation experiments to unravel the mechanism of water transport in reverse osmosis (RO) membranes. The NEMD simulations reveal that water transport is driven by a pressure gradient within the membranes, not by a water concentration gradient, in marked contrast to the classic solution-diffusion model. We further show that water molecules travel as clusters through a network of pores that are transiently connected. Permeation experiments with water and organic solvents using polyamide and cellulose triacetate RO membranes showed that solvent permeance depends on the membrane pore size, kinetic diameter of solvent molecules, and solvent viscosity. This observation is not consistent with the solution-diffusion model, where permeance depends on the solvent solubility. Motivated by these observations, we demonstrate that the solution-friction model, in which transport is driven by a pressure gradient, can describe water and solvent transport in RO membranes.
,
MD simulations and solvent permeation experiments show that water transport in reverse osmosis membranes is governed by pore flow.},
language = {en},
number = {15},
urldate = {2023-07-18},
journal = {Sci. Adv.},
author = {Wang, Li and He, Jinlong and Heiranian, Mohammad and Fan, Hanqing and Song, Lianfa and Li, Ying and Elimelech, Menachem},
month = apr,
year = {2023},
pages = {eadf8488},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/C6ISHZ55/Wang et al. - 2023 - Water transport in reverse osmosis membranes is go.pdf:application/pdf},
}
@article{epsztein_role_2018,
title = {Role of {Ionic} {Charge} {Density} in {Donnan} {Exclusion} of {Monovalent} {Anions} by {Nanofiltration}},
volume = {52},
issn = {0013-936X, 1520-5851},
url = {https://pubs.acs.org/doi/10.1021/acs.est.7b06400},
doi = {10.1021/acs.est.7b06400},
language = {en},
number = {7},
urldate = {2023-10-03},
journal = {Environ. Sci. Technol.},
author = {Epsztein, Razi and Shaulsky, Evyatar and Dizge, Nadir and Warsinger, David M. and Elimelech, Menachem},
month = apr,
year = {2018},
pages = {4108--4116},
}
@article{richards_experimental_2013,
title = {Experimental {Energy} {Barriers} to {Anions} {Transporting} through {Nanofiltration} {Membranes}},
volume = {47},
issn = {0013-936X, 1520-5851},
url = {https://pubs.acs.org/doi/10.1021/es303925r},
doi = {10.1021/es303925r},
language = {en},
number = {4},
urldate = {2023-10-03},
journal = {Environ. Sci. Technol.},
author = {Richards, Laura A. and Richards, Bryce S. and Corry, Ben and Schäfer, Andrea I.},
month = feb,
year = {2013},
pages = {1968--1976},
}
@article{zhou_intrapore_2020,
title = {Intrapore energy barriers govern ion transport and selectivity of desalination membranes},
volume = {6},
issn = {2375-2548},
url = {https://www.science.org/doi/10.1126/sciadv.abd9045},
doi = {10.1126/sciadv.abd9045},
abstract = {A fundamental study elucidates the mechanisms underlying selective ion transport through desalination membranes.
,
State-of-the-art desalination membranes exhibit high water-salt selectivity, but their ability to discriminate between ions is limited. Elucidating the fundamental mechanisms underlying ion transport and selectivity in subnanometer pores is therefore imperative for the development of ion-selective membranes. Here, we compare the overall energy barrier for salt transport and energy barriers for individual ion transport, showing that cations and anions traverse the membrane pore in an independent manner. Supported by density functional theory simulations, we demonstrate that electrostatic interactions between permeating counterion and fixed charges on the membrane substantially hinder intrapore diffusion. Furthermore, using quartz crystal microbalance, we break down the contributions of partitioning at the pore mouth and intrapore diffusion to the overall energy barrier for salt transport. Overall, our results indicate that intrapore diffusion governs salt transport through subnanometer pores due to ion-pore wall interactions, providing the scientific base for the design of membranes with high ion-ion selectivity.},
language = {en},
number = {48},
urldate = {2023-10-03},
journal = {Sci. Adv.},
author = {Zhou, Xuechen and Wang, Zhangxin and Epsztein, Razi and Zhan, Cheng and Li, Wenlu and Fortner, John D. and Pham, Tuan Anh and Kim, Jae-Hong and Elimelech, Menachem},
month = nov,
year = {2020},
pages = {eabd9045},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/ZHV6869L/Zhou et al. - 2020 - Intrapore energy barriers govern ion transport and.pdf:application/pdf},
}
@article{sigurdardottir_energy_2020,
title = {Energy barriers to anion transport in polyelectrolyte multilayer nanofiltration membranes: {Role} of intra-pore diffusion},
volume = {603},
issn = {03767388},
shorttitle = {Energy barriers to anion transport in polyelectrolyte multilayer nanofiltration membranes},
url = {https://linkinghub.elsevier.com/retrieve/pii/S037673881933306X},
doi = {10.1016/j.memsci.2020.117921},
language = {en},
urldate = {2023-10-03},
journal = {Journal of Membrane Science},
author = {Sigurdardottir, Sigyn B. and DuChanois, Ryan M. and Epsztein, Razi and Pinelo, Manuel and Elimelech, Menachem},
month = may,
year = {2020},
pages = {117921},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/NWPXEFJS/Sigurdardottir et al. - 2020 - Energy barriers to anion transport in polyelectrol.pdf:application/pdf},
}
@article{lu_dehydration-enhanced_2023,
title = {Dehydration-enhanced ion-pore interactions dominate anion transport and selectivity in nanochannels},
volume = {9},
issn = {2375-2548},
url = {https://www.science.org/doi/10.1126/sciadv.adf8412},
doi = {10.1126/sciadv.adf8412},
abstract = {State-of-the-art ion-selective membranes with ultrahigh precision are of significance for water desalination and energy conservation, but their development is limited by the lack of understanding of the mechanisms of ion transport at the subnanometer scale. Herein, we investigate transport of three typical anions (F
−
, Cl
−
, and Br
−
) under confinement using in situ liquid time-of-flight secondary ion mass spectrometry in combination with transition-state theory. The operando analysis reveals that dehydration and related ion-pore interactions govern anion-selective transport. For strongly hydrated ions [(H
2
O)
n
F
−
and (H
2
O)
n
Cl
−
], dehydration enhances ion effective charge and thus the electrostatic interactions with membrane, observed as an increase in decomposed energy from electrostatics, leading to more hindered transport. Contrarily, weakly hydrated ions [(H
2
O)
n
Br
−
] have greater permeability as they allow an intact hydration structure during transport due to their smaller size and the most right-skewed hydration distribution. Our work demonstrates that precisely regulating ion dehydration to maximize the difference in ion-pore interactions could enable the development of ideal ion-selective membranes.
,
The important role of dehydration in anion confined transport was revealed using in situ liquid ToF-SIMS.},
language = {en},
number = {27},
urldate = {2023-10-03},
journal = {Sci. Adv.},
author = {Lu, Chenghai and Hu, Chengzhi and Chen, Zhibin and Wang, Peiyao and Feng, Fan and He, Guangzhi and Wang, Fuyi and Zhang, Yanyan and Liu, Jefferson Zhe and Zhang, Xiwang and Qu, Jiuhui},
month = jul,
year = {2023},
pages = {eadf8412},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/CZNWXAXB/Lu et al. - 2023 - Dehydration-enhanced ion-pore interactions dominat.pdf:application/pdf},
}
@article{shefer_limited_2022,
title = {Limited ion-ion selectivity of salt-rejecting membranes due to enthalpy-entropy compensation},
volume = {541},
issn = {00119164},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0011916422004969},
doi = {10.1016/j.desal.2022.116041},
language = {en},
urldate = {2023-10-03},
journal = {Desalination},
author = {Shefer, Idit and Peer-Haim, Ophir and Epsztein, Razi},
month = nov,
year = {2022},
pages = {116041},
}
@article{zhai_roles_2022,
title = {Roles of {Anion}–{Cation} {Coupling} {Transport} and {Dehydration}-{Induced} {Ion}–{Membrane} {Interaction} in {Precise} {Separation} of {Ions} by {Nanofiltration} {Membranes}},
volume = {56},
issn = {0013-936X, 1520-5851},
url = {https://pubs.acs.org/doi/10.1021/acs.est.2c04772},
doi = {10.1021/acs.est.2c04772},
language = {en},
number = {19},
urldate = {2023-10-03},
journal = {Environ. Sci. Technol.},
author = {Zhai, Xiaohu and Wang, Yong-Lei and Dai, Ruobin and Li, Xuesong and Wang, Zhiwei},
month = oct,
year = {2022},
pages = {14069--14079},
}
@article{rickman_temperature-variation_2014,
title = {Temperature-variation study of neutral solute and electrolyte fractionation through cellulose acetate and polyamide membranes},
volume = {461},
issn = {03767388},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0376738814002014},
doi = {10.1016/j.memsci.2014.03.023},
language = {en},
urldate = {2023-10-03},
journal = {Journal of Membrane Science},
author = {Rickman, Melissa and Davis, Robert H. and Pellegrino, John},
month = jul,
year = {2014},
pages = {114--122},
}
@article{duchanois_designing_2022,
title = {Designing polymeric membranes with coordination chemistry for high-precision ion separations},
volume = {8},
issn = {2375-2548},
url = {https://www.science.org/doi/10.1126/sciadv.abm9436},
doi = {10.1126/sciadv.abm9436},
abstract = {State-of-the-art polymeric membranes are unable to perform the high-precision ion separations needed for technologies essential to a circular economy and clean energy future. Coordinative interactions are a mechanism to increase sorption of a target species into a membrane, but the effects of these interactions on membrane permeability and selectivity are poorly understood. We use a multilayered polymer membrane to assess how ion-membrane binding energies affect membrane permeability of similarly sized cations: Cu
2+
, Ni
2+
, Zn
2+
, Co
2+
, and Mg
2+
. We report that metals with higher binding energy to iminodiacetate groups of the polymer more selectively permeate through the membrane in multisalt solutions than single-salt solutions. In contrast, weaker binding species are precluded from diffusing into the polymer membrane, which leads to passage proportional to binding energy and independent of membrane thickness. Our findings demonstrate that selectivity of polymeric membranes can markedly increase by tailoring ion-membrane binding energy and minimizing membrane thickness.
,
Tailoring interactions between a target ion and polymer can lead to highly precise ion separations for ultrathin membranes.},
language = {en},
number = {9},
urldate = {2023-10-03},
journal = {Sci. Adv.},
author = {DuChanois, Ryan M. and Heiranian, Mohammad and Yang, Jason and Porter, Cassandra J. and Li, Qilin and Zhang, Xuan and Verduzco, Rafael and Elimelech, Menachem},
month = mar,
year = {2022},
pages = {eabm9436},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/7HZR442L/DuChanois et al. - 2022 - Designing polymeric membranes with coordination ch.pdf:application/pdf},
}
@article{duchanois_membrane_2021,
title = {Membrane {Materials} for {Selective} {Ion} {Separations} at the {Water}–{Energy} {Nexus}},
volume = {33},
issn = {0935-9648, 1521-4095},
url = {https://onlinelibrary.wiley.com/doi/10.1002/adma.202101312},
doi = {10.1002/adma.202101312},
abstract = {Abstract
Synthetic polymer membranes are enabling components in key technologies at the water–energy nexus, including desalination and energy conversion, because of their high water/salt selectivity or ionic conductivity. However, many applications at the water–energy nexus require ion selectivity, or separation of specific ionic species from other similar species. Here, the ion selectivity of conventional polymeric membrane materials is assessed and recent progress in enhancing selective transport via tailored free volume elements and ion–membrane interactions is described. In view of the limitations of polymeric membranes, three material classes—porous crystalline materials, 2D materials, and discrete biomimetic channels—are highlighted as possible candidates for ion‐selective membranes owing to their molecular‐level control over physical and chemical properties. Lastly, research directions and critical challenges for developing bioinspired membranes with molecular recognition are provided.},
language = {en},
number = {38},
urldate = {2023-10-03},
journal = {Advanced Materials},
author = {DuChanois, Ryan M. and Porter, Cassandra J. and Violet, Camille and Verduzco, Rafael and Elimelech, Menachem},
month = sep,
year = {2021},
pages = {2101312},
}
@article{zhao_differentiating_2021,
title = {Differentiating {Solutes} with {Precise} {Nanofiltration} for {Next} {Generation} {Environmental} {Separations}: {A} {Review}},
volume = {55},
issn = {0013-936X, 1520-5851},
shorttitle = {Differentiating {Solutes} with {Precise} {Nanofiltration} for {Next} {Generation} {Environmental} {Separations}},
url = {https://pubs.acs.org/doi/10.1021/acs.est.0c04593},
doi = {10.1021/acs.est.0c04593},
language = {en},
number = {3},
urldate = {2023-10-03},
journal = {Environ. Sci. Technol.},
author = {Zhao, Yangying and Tong, Tiezheng and Wang, Xiaomao and Lin, Shihong and Reid, Elliot M. and Chen, Yongsheng},
month = feb,
year = {2021},
pages = {1359--1376},
}
@article{roy_framework_2019,
title = {A framework to analyze sulfate \textit{versus} chloride selectivity in nanofiltration},
volume = {5},
issn = {2053-1400, 2053-1419},
url = {http://xlink.rsc.org/?DOI=C8EW00847G},
doi = {10.1039/C8EW00847G},
abstract = {Interspecies selectivity between NaCl and Na
2
SO
4
in nanofiltration is explained by a simple, intuitive analytical framework.
,
The preferential removal of sodium sulfate over sodium chloride (fractionation) by nanofiltration (NF) is studied. A fractionation metric,
M
, is defined, and a simple set of equations are derived to describe its variation due to operating parameters, such as temperature and pressure. The use of these equations to explain known behavior of NF systems and suggest improvements in system or membrane design is demonstrated. Furthermore, the derived framework is applicable to all membranes used in pressure-driven technologies, without detailed characterization of specific membrane properties, such as structural parameters (pore radius, active layer thickness, tortuosity, porosity) or charge-based parameters. Given that the principal applications of NF involve the selective removal of multivalent ions over monovalent ions, the introduced metric provides a direct measure of its efficacy in such applications, and is shown to be more accurate in some cases than comparing salt rejection ratios, as usually done. Finally, the concept of ‘breakthrough’, commonly observed as the point at which rejection ratio begins to decrease with increase in pressure, is mathematically described, and its implication on selectivity discussed.},
language = {en},
number = {3},
urldate = {2023-10-03},
journal = {Environ. Sci.: Water Res. Technol.},
author = {Roy, Yagnaseni and Lienhard, John H.},
year = {2019},
pages = {585--598},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/FAXRSJ38/Roy and Lienhard - 2019 - A framework to analyze sulfate versus chlor.pdf:application/pdf},
}
@article{yaroshchuk_non-steric_2001,
title = {Non-steric mechanisms of nanofiltration: superposition of {Donnan} and dielectric exclusion},
volume = {22-23},
issn = {13835866},
shorttitle = {Non-steric mechanisms of nanofiltration},
url = {https://linkinghub.elsevier.com/retrieve/pii/S1383586600001593},
doi = {10.1016/S1383-5866(00)00159-3},
number = {1-2},
urldate = {2023-10-03},
journal = {Separation and Purification Technology},
author = {Yaroshchuk, A},
month = mar,
year = {2001},
pages = {143--158},
}
@article{wang_pore_2021,
title = {Pore model for nanofiltration: {History}, theoretical framework, key predictions, limitations, and prospects},
volume = {620},
issn = {03767388},
shorttitle = {Pore model for nanofiltration},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0376738820313843},
doi = {10.1016/j.memsci.2020.118809},
language = {en},
urldate = {2023-10-03},
journal = {Journal of Membrane Science},
author = {Wang, Ruoyu and Lin, Shihong},
month = feb,
year = {2021},
pages = {118809},
}
@article{epsztein_elucidating_2018,
title = {Elucidating the mechanisms underlying the difference between chloride and nitrate rejection in nanofiltration},
volume = {548},
issn = {03767388},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0376738817317040},
doi = {10.1016/j.memsci.2017.10.049},
language = {en},
urldate = {2023-10-03},
journal = {Journal of Membrane Science},
author = {Epsztein, Razi and Cheng, Wei and Shaulsky, Evyatar and Dizge, Nadir and Elimelech, Menachem},
month = feb,
year = {2018},
pages = {694--701},
}
@article{faucher_critical_2019,
title = {Critical {Knowledge} {Gaps} in {Mass} {Transport} through {Single}-{Digit} {Nanopores}: {A} {Review} and {Perspective}},
volume = {123},
issn = {1932-7447, 1932-7455},
shorttitle = {Critical {Knowledge} {Gaps} in {Mass} {Transport} through {Single}-{Digit} {Nanopores}},
url = {https://pubs.acs.org/doi/10.1021/acs.jpcc.9b02178},
doi = {10.1021/acs.jpcc.9b02178},
language = {en},
number = {35},
urldate = {2023-10-03},
journal = {J. Phys. Chem. C},
author = {Faucher, Samuel and Aluru, Narayana and Bazant, Martin Z. and Blankschtein, Daniel and Brozena, Alexandra H. and Cumings, John and Pedro De Souza, J. and Elimelech, Menachem and Epsztein, Razi and Fourkas, John T. and Rajan, Ananth Govind and Kulik, Heather J. and Levy, Amir and Majumdar, Arun and Martin, Charles and McEldrew, Michael and Misra, Rahul Prasanna and Noy, Aleksandr and Pham, Tuan Anh and Reed, Mark and Schwegler, Eric and Siwy, Zuzanna and Wang, YuHuang and Strano, Michael},
month = sep,
year = {2019},
pages = {21309--21326},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/Z4MM24WJ/Faucher et al. - 2019 - Critical Knowledge Gaps in Mass Transport through .pdf:application/pdf},
}
@article{biesheuvel_theory_2023,
title = {Theory for salt transport in charged reverse osmosis membranes: {Novel} analytical equations for desalination performance and experimental validation},
volume = {557},
issn = {00119164},
shorttitle = {Theory for salt transport in charged reverse osmosis membranes},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0011916423002126},
doi = {10.1016/j.desal.2023.116580},
language = {en},
urldate = {2023-10-03},
journal = {Desalination},
author = {Biesheuvel, P.M. and Rutten, S.B. and Ryzhkov, I.I. and Porada, S. and Elimelech, M.},
month = jul,
year = {2023},
pages = {116580},
}
@article{song_molecular_2020,
title = {Molecular {Simulations} of {Water} {Transport} {Resistance} in {Polyamide} {RO} {Membranes}: {Interfacial} and {Interior} {Contributions}},
volume = {6},
issn = {20958099},
shorttitle = {Molecular {Simulations} of {Water} {Transport} {Resistance} in {Polyamide} {RO} {Membranes}},
url = {https://linkinghub.elsevier.com/retrieve/pii/S2095809920300643},
doi = {10.1016/j.eng.2020.03.008},
language = {en},
number = {5},
urldate = {2023-10-04},
journal = {Engineering},
author = {Song, Yang and Wei, Mingjie and Xu, Fang and Wang, Yong},
month = may,
year = {2020},
pages = {577--584},
}
@article{culp_nanoscale_2021,
title = {Nanoscale control of internal inhomogeneity enhances water transport in desalination membranes},
volume = {371},
issn = {0036-8075, 1095-9203},
url = {https://www.science.org/doi/10.1126/science.abb8518},
doi = {10.1126/science.abb8518},
abstract = {Finding the path to better desalination
Polyamide membranes have been used in large-scale desalination for decades. However, because of the thinness of the membranes and their internal variability, it has been hard to determine which aspects of the membranes most affect their performance. Culp
et al.
combined electron tomography, nanoscale three-dimensional (3D) polyamide density mapping, and modeling of bulk water permeability with zero adjustable parameters to quantify the effect of 3D nanoscale variations in polymer mass on water transport within the polyamide membrane (see the Perspective by Geise). They found that variability in local density most affects the performance of the membranes. Better synthesis methods could thus improve performance without affecting selectivity.
Science
, this issue p.
72
; see also p.
31
,
Electron tomography reveals how inhomogeneities in pore distributions affect performance of water filtration membranes.
,
Biological membranes can achieve remarkably high permeabilities, while maintaining ideal selectivities, by relying on well-defined internal nanoscale structures in the form of membrane proteins. Here, we apply such design strategies to desalination membranes. A series of polyamide desalination membranes—which were synthesized in an industrial-scale manufacturing line and varied in processing conditions but retained similar chemical compositions—show increasing water permeability and active layer thickness with constant sodium chloride selectivity. Transmission electron microscopy measurements enabled us to determine nanoscale three-dimensional polyamide density maps and predict water permeability with zero adjustable parameters. Density fluctuations are detrimental to water transport, which makes systematic control over nanoscale polyamide inhomogeneity a key route to maximizing water permeability without sacrificing salt selectivity in desalination membranes.},
language = {en},
number = {6524},
urldate = {2023-10-11},
journal = {Science},
author = {Culp, Tyler E. and Khara, Biswajit and Brickey, Kaitlyn P. and Geitner, Michael and Zimudzi, Tawanda J. and Wilbur, Jeffrey D. and Jons, Steven D. and Roy, Abhishek and Paul, Mou and Ganapathysubramanian, Baskar and Zydney, Andrew L. and Kumar, Manish and Gomez, Enrique D.},
month = jan,
year = {2021},
pages = {72--75},
}
@article{xue_diffusion_2017,
title = {Diffusion of {Lithium} {Ions} in {Amorphous} and {Crystalline} {Poly}(ethylene oxide)3:{LiCF3SO3} {Polymer} {Electrolytes}},
volume = {235},
issn = {00134686},
shorttitle = {Diffusion of {Lithium} {Ions} in {Amorphous} and {Crystalline} {Poly}(ethylene oxide)3},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0013468617305480},
doi = {10.1016/j.electacta.2017.03.083},
language = {en},
urldate = {2023-10-11},
journal = {Electrochimica Acta},
author = {Xue, Sha and Liu, Yingdi and Li, Yaping and Teeters, Dale and Crunkleton, Daniel W. and Wang, Sanwu},
month = may,
year = {2017},
pages = {122--128},
}
@article{yeager_ionic_1979,
title = {Ionic diffusion and ion clustering in a perfluorosulfonate ion-exchange membrane},
volume = {83},
issn = {0022-3654, 1541-5740},
url = {https://pubs.acs.org/doi/abs/10.1021/j100477a008},
doi = {10.1021/j100477a008},
language = {en},
number = {14},
urldate = {2023-10-11},
journal = {J. Phys. Chem.},
author = {Yeager, H. L. and Kipling, B.},
month = jul,
year = {1979},
pages = {1836--1839},
}
@article{das_metal_1994,
title = {Metal diffusion in polymers},
volume = {17},
issn = {10709894},
url = {http://ieeexplore.ieee.org/document/338732/},
doi = {10.1109/96.338732},
number = {4},
urldate = {2023-10-11},
journal = {IEEE Trans. Comp., Packag., Manufact. Technol. B},
author = {Das, J.H. and Morris, J.E.},
month = nov,
year = {1994},
pages = {620--625},
}
@article{talekar_temperature_2009,
title = {Temperature dependence of activation energies for self-diffusion of water and of alkali ions in aqueous electrolyte solutions. {A} model for ion selective behavior of biological cells},
volume = {12},
issn = {00207608, 1097461X},
url = {https://onlinelibrary.wiley.com/doi/10.1002/qua.560120741},
doi = {10.1002/qua.560120741},
language = {en},
number = {S4},
urldate = {2023-10-11},
journal = {Int. J. Quantum Chem.},
author = {Talekar, Subhash V.},
month = jun,
year = {2009},
pages = {459--469},
}
@article{wang_self-diffusion_1953,
title = {Self-diffusion and {Structure} of {Liquid} {Water}. {III}. {Measurement} of the {Self}-diffusion of {Liquid} {Water} with {H} $^{\textrm{2}}$ , {H} $^{\textrm{3}}$ and {O} $^{\textrm{18}}$ as {Tracers} $^{\textrm{1}}$},
volume = {75},
issn = {0002-7863, 1520-5126},
url = {https://pubs.acs.org/doi/abs/10.1021/ja01098a061},
doi = {10.1021/ja01098a061},
language = {en},
number = {2},
urldate = {2023-10-11},
journal = {J. Am. Chem. Soc.},
author = {Wang, Jui Hsin and Robinson, Charles V. and Edelman, I. S.},
month = jan,
year = {1953},
pages = {466--470},
}
@article{laidler_development_1984,
title = {The development of the {Arrhenius} equation},
volume = {61},
issn = {0021-9584, 1938-1328},
url = {https://pubs.acs.org/doi/abs/10.1021/ed061p494},
doi = {10.1021/ed061p494},
language = {en},
number = {6},
urldate = {2023-11-15},
journal = {J. Chem. Educ.},
author = {Laidler, Keith J.},
month = jun,
year = {1984},
pages = {494},
}
@article{hunt_applications_2001,
title = {Applications of percolation theory to porous media with distributed local conductances},
volume = {24},
issn = {03091708},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0309170800000580},
doi = {10.1016/S0309-1708(00)00058-0},
language = {en},
number = {3-4},
urldate = {2023-12-18},
journal = {Advances in Water Resources},
author = {Hunt, A.G.},
month = feb,
year = {2001},
pages = {279--307},
}
@article{bernabe_effect_1998,
title = {Effect of the variance of pore size distribution on the transport properties of heterogeneous networks},
volume = {103},
issn = {0148-0227},
url = {https://agupubs.onlinelibrary.wiley.com/doi/10.1029/97JB02486},
doi = {10.1029/97JB02486},
abstract = {The goal of this paper is to evaluate the effect of the variance of pore size distribution on the transport properties of rocks. Several heterogeneous network realizations with very broad, uniform, or log uniform pore size distributions were constructed. A series of networks were then derived deterministically from these initial networks by repeatedly applying a shrinking operator to the pores of the original realizations. This operator was devised in such a way as to maintain the mean pore size constant while changing the variance of the pore size distribution, therefore allowing its effect on the transport properties to be isolated. We thus assessed the validity of several permeability models from the literature as a function of the variance of the pore size distribution. We found that the product of the permeability by the electrical formation factor was proportional to the square of the critical radius as proposed in the Katz‐Thompson model [
Katz and Thompson
, 1986]. However, we observed that the dramatic flow localization occurring at high pore size variance was not restricted to the backbone of the critical subnetwork (or critical path) as assumed in the Katz‐Thompson model. We propose that a better justification of the relation mentioned above arises from the underlying percolation problem of the viscous‐inertial transition observed in harmonic flow as a function of frequency. In addition, we appraised the stochastic Bernabé‐Revil model [
Bernabé and Revil
, 1995]. We found that this model was more and more difficult to implement as the pore size variance was increased. A possible interpretation could be that at high levels of pore‐scale heterogeneity, very large pore size fluctuations occur and the flow pattern is so strongly and determimstically related to these extreme fluctuations that a stochastic description becomes inadequate.},
language = {en},
number = {B1},
urldate = {2023-12-18},
journal = {J. Geophys. Res.},
author = {Bernabé, Yves and Bruderer, Céline},
month = jan,
year = {1998},
pages = {513--525},
file = {Full Text:/home/nate/snap/zotero-snap/common/Zotero/storage/LXW5H7Z6/Bernabé and Bruderer - 1998 - Effect of the variance of pore size distribution o.pdf:application/pdf},
}
@article{mishra_effective_2021,
title = {Effective resistances of two-dimensional resistor networks},
volume = {42},
issn = {0143-0807, 1361-6404},
url = {https://iopscience.iop.org/article/10.1088/1361-6404/abc526},
doi = {10.1088/1361-6404/abc526},
abstract = {Abstract
We investigate the behavior of two-dimensional resistor networks, with finite sizes and different kinds (rectangular, hexagonal, and triangular) of lattice geometry. We construct a network by having a network unit repeat itself
L
x
times in the
x
-direction and
L
y
times in the
y
-direction. We study the relationship between the effective resistance (
R
eff
) of the network on dimensions
L
x
and
L
y
. The behavior is simple and intuitive for a network with rectangular geometry; however, it becomes non-trivial for other geometries which are solved numerically. We find that
R
eff
depends on the ratio
L
x
/
L
y
in all three studied networks. We also check the consistency of our numerical results experimentally for small network sizes.},
number = {1},
urldate = {2023-12-18},
journal = {Eur. J. Phys.},
author = {Mishra, Rajat Chandra and Barman, Himadri},
month = jan,
year = {2021},
pages = {015205},
file = {Submitted Version:/home/nate/snap/zotero-snap/common/Zotero/storage/IK49FSIQ/Mishra and Barman - 2021 - Effective resistances of two-dimensional resistor .pdf:application/pdf},
}
@article{charlaix_permeability_1987,
title = {Permeability of a random array of fractures of widely varying apertures},
volume = {2},
issn = {0169-3913, 1573-1634},
url = {http://link.springer.com/10.1007/BF00208535},
doi = {10.1007/BF00208535},
language = {en},
number = {1},
urldate = {2023-12-18},
journal = {Transp Porous Med},
author = {Charlaix, Elisabeth and Guyon, Etienne and Roux, Stephane},
month = feb,
year = {1987},
}
@article{tan_equivalent_2013,
title = {The equivalent resistance of a 3 × \textit{n} cobweb network and its conjecture of an \textit{m} × \textit{n} cobweb network},
volume = {46},
issn = {1751-8113, 1751-8121},
url = {https://iopscience.iop.org/article/10.1088/1751-8113/46/19/195202},
doi = {10.1088/1751-8113/46/19/195202},
number = {19},
urldate = {2023-12-18},
journal = {J. Phys. A: Math. Theor.},