Investigating microstructure evolution in block copolymer membranes

Cooper, Anthony J.; Grzetic, Douglas J.; Delaney, Kris T.; Fredrickson, Glenn H.

doi:10.1063/5.0188196

Title: Investigating microstructure evolution in block copolymer membranes

Journal Article · 21 February 2024 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0188196 · OSTI ID:2370093

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University of California, Santa Barbara, CA (United States); Center for Membranes for Water and Energy Systems (M-WET), UT Austin
Schrödinger Inc., Portland, OR (United States)
University of California, Santa Barbara, CA (United States)

Block copolymer self-assembly in conjunction with nonsolvent-induced phase separation (SNIPS) has been increasingly leveraged to fabricate integral-asymmetric membranes. The large number of formulation and processing parameters associated with SNIPS, however, has prevented the reliable construction of high performance membranes. In this study, we apply dynamical self-consistent field theory to model the SNIPS process and investigate the effect of various parameters on the membrane morphology: solvent selectivity, nonsolvent selectivity, initial film composition, and glass transition composition. We examine how solvent selectivity and concentration of polymers in the film impact the structure of micelles that connect to form the membrane matrix. In particular, we find that preserving the order in the surface layer and forming a connection between the supporting and surface layer are nontrivial and sensitive to each parameter studied. Furthermore, the effect of each parameter is discussed, and suggestions are made for successfully fabricating viable block copolymer membranes.

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Research Organization:: University of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: SC0019272; AC02-05CH11231

OSTI ID:: 2370093

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 7 Vol. 160; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (51)

Nanoporous membranes generated from self-assembled block polymer precursors:Quo Vadis? Zhang, Yizhou; Sargent, Jessica L.; Boudouris, Bryan W. Journal of Applied Polymer Science, Vol. 132, Issue 21 https://doi.org/10.1002/app.41683	journal	November 2014
Energy Efficient Seawater Desalination: Strategies and Opportunities Goh, Pei Sean; Liang, Yong Yeow; Ismail, Ahmad Fauzi Energy Technology, Vol. 9, Issue 5 https://doi.org/10.1002/ente.202100008	journal	March 2021
Self-Assembled Block Copolymer Aggregates: From Micelles to Vesicles and their Biological Applications Blanazs, Adam; Armes, Steven P.; Ryan, Anthony J. Macromolecular Rapid Communications, Vol. 30, Issue 4-5 https://doi.org/10.1002/marc.200800713	journal	February 2009
Isoporous Block Copolymer Membranes Abetz, Volker Macromolecular Rapid Communications, Vol. 36, Issue 1 https://doi.org/10.1002/marc.201400556	journal	November 2014
Preparation of block copolymer vesicles in solution Lim Soo, Patrick; Eisenberg, Adi Journal of Polymer Science Part B: Polymer Physics, Vol. 42, Issue 6 https://doi.org/10.1002/polb.10739	journal	January 2004
Water purification by membranes: The role of polymer science Geise, Geoffrey M.; Lee, Hae-Seung; Miller, Daniel J. Journal of Polymer Science Part B: Polymer Physics, Vol. 48, Issue 15 https://doi.org/10.1002/polb.22037	journal	June 2010
Aqueous quenched asymmetric polysulfone membranes prepared by dry/wet phase separation Pesek, S. C.; Koros, W. J. Journal of Membrane Science, Vol. 81, Issue 1-2 https://doi.org/10.1016/0376-7388(93)85032-r	journal	June 1993
Theoretical analysis of pore size distribution effects on membrane transport Mochizuki, Seiichi; Zydney, Andrew L. Journal of Membrane Science, Vol. 82, Issue 3 https://doi.org/10.1016/0376-7388(93)85186-z	journal	July 1993
Preparation of defect-free asymmetric gas separation membranes with dihydrolevoglucosenone (CyreneTM) as a greener polar aprotic solvent Bridge, Alexander T.; Pedretti, Benjamin J.; Brennecke, Joan F. Journal of Membrane Science, Vol. 644 https://doi.org/10.1016/j.memsci.2021.120173	journal	February 2022
Defect-free asymmetric Matrimid® gas separation membranes using dihydrolevoglucosenone (Cyrene™) as a greener polar aprotic solvent than traditional solvents Bridge, Alexander T.; Wamble, Noah P.; Santoso, Matthew S. Journal of Membrane Science, Vol. 691 https://doi.org/10.1016/j.memsci.2023.122221	journal	February 2024
Time-resolved GISAXS and cryo-microscopy characterization of block copolymer membrane formation Marques, Debora Salomon; Dorin, Rachel Mika; Wiesner, Ulrich Polymer, Vol. 55, Issue 6 https://doi.org/10.1016/j.polymer.2013.11.010	journal	March 2014
A review of polymeric membranes and processes for potable water reuse Warsinger, David M.; Chakraborty, Sudip; Tow, Emily W. Progress in Polymer Science, Vol. 81 https://doi.org/10.1016/j.progpolymsci.2018.01.004	journal	June 2018
Calculation of noise distribution in mesoscopic dynamics models for phase separation of multicomponent complex fluids van Vlimmeren, B. A. C.; Fraaije, J. G. E. M. Computer Physics Communications, Vol. 99, Issue 1 https://doi.org/10.1016/s0010-4655(96)00125-7	journal	December 1996
Polymeric membrane formation by wet-phase separation; turbidity and shrinkage phenomena as evidence for the elementary processes Stropnik, Č; Musil, V.; Brumen, M. Polymer, Vol. 41, Issue 26 https://doi.org/10.1016/s0032-3861(00)00309-8	journal	December 2000
Nonequilibrium Processes in Polymer Membrane Formation: Theory and Experiment Müller, Marcus; Abetz, Volker Chemical Reviews, Vol. 121, Issue 22 https://doi.org/10.1021/acs.chemrev.1c00029	journal	May 2021
Structural Evolution of Ternary Amphiphilic Block Copolymer Solvent Systems for Phase Inversion Membrane Formation Hibi, Yusuke; Hesse, Sarah A.; Yu, Fei Macromolecules, Vol. 53, Issue 12 https://doi.org/10.1021/acs.macromol.0c00595	journal	June 2020
Quantitative Comparison of Field-Update Algorithms for Polymer SCFT and FTS Vigil, Daniel L.; Delaney, Kris T.; Fredrickson, Glenn H. Macromolecules, Vol. 54, Issue 21 https://doi.org/10.1021/acs.macromol.1c01804	journal	October 2021
Simulation of Solvent Evaporation from a Diblock Copolymer Film: Orientation of the Cylindrical Mesophase Dreyer, Oliver; Ibbeken, Gregor; Schneider, Ludwig Macromolecules, Vol. 55, Issue 17 https://doi.org/10.1021/acs.macromol.2c00612	journal	August 2022
Using Grazing-Incidence Small-Angle Neutron Scattering to Study the Orientation of Block Copolymer Morphologies in Thin Films Hu, Mingqiu; Li, Xindi; Heller, William T. Macromolecules, Vol. 56, Issue 6 https://doi.org/10.1021/acs.macromol.2c02415	journal	March 2023
Vertical Domain Orientation in Cylinder-Forming Diblock Copolymer Films upon Solvent Vapor Annealing Berezkin, Anatoly V.; Papadakis, Christine M.; Potemkin, Igor I. Macromolecules, Vol. 49, Issue 1 https://doi.org/10.1021/acs.macromol.5b01771	journal	December 2015
Block Copolymer Membranes for Aqueous Solution Applications Nunes, Suzana Pereira Macromolecules, Vol. 49, Issue 8 https://doi.org/10.1021/acs.macromol.5b02579	journal	March 2016
Self-Assembly in Block Copolymer Thin Films upon Solvent Evaporation: A Simulation Study Hao, Jinlong; Wang, Zhan; Wang, Zheng Macromolecules, Vol. 50, Issue 11 https://doi.org/10.1021/acs.macromol.7b00200	journal	May 2017
Simulation of Membrane Fabrication via Solvent Evaporation and Nonsolvent-Induced Phase Separation Blagojevic, Niklas; Müller, Marcus ACS Applied Materials & Interfaces, Vol. 15, Issue 50 https://doi.org/10.1021/acsami.3c03126	journal	May 2023
Mechanisms of Asymmetric Membrane Formation in Nonsolvent-Induced Phase Separation Garcia, Jan Ulric; Iwama, Tatsuhiro; Chan, Eva Y. ACS Macro Letters, Vol. 9, Issue 11 https://doi.org/10.1021/acsmacrolett.0c00609	journal	October 2020
Modeling Microstructure Formation in Block Copolymer Membranes Using Dynamical Self-Consistent Field Theory Grzetic, Douglas J.; Cooper, Anthony J.; Delaney, Kris T. ACS Macro Letters, Vol. 12, Issue 1 https://doi.org/10.1021/acsmacrolett.2c00611	journal	December 2022
Marangoni Flows during Nonsolvent Induced Phase Separation Tree, Douglas R.; Iwama, Tatsuhiro; Delaney, Kris T. ACS Macro Letters, Vol. 7, Issue 5 https://doi.org/10.1021/acsmacrolett.8b00012	journal	April 2018
Next-Generation Ultrafiltration Membranes Enabled by Block Polymers Hampu, Nicholas; Werber, Jay R.; Chan, Wui Yarn ACS Nano, Vol. 14, Issue 12 https://doi.org/10.1021/acsnano.0c07883	journal	December 2020
Multiscale Modeling of Grain-Boundary Motion in Cylinder-Forming Block Copolymers Blagojevic, Niklas; Müller, Marcus ACS Polymers Au, Vol. 3, Issue 1 https://doi.org/10.1021/acspolymersau.2c00048	journal	October 2022
Preparation and Characterization of Membranes Formed by Nonsolvent Induced Phase Separation: A Review Guillen, Gregory R.; Pan, Yinjin; Li, Minghua Industrial & Engineering Chemistry Research, Vol. 50, Issue 7 https://doi.org/10.1021/ie101928r	journal	April 2011
Morphological Phase Diagram for a Ternary System of Block Copolymer PS ₃₁₀ - b -PAA ₅₂ /Dioxane/H ₂ O Shen, Hongwei; Eisenberg, Adi The Journal of Physical Chemistry B, Vol. 103, Issue 44 https://doi.org/10.1021/jp991365c	journal	October 1999
Solvent Effect on the Glass Transition Temperature of Syndiotactic Polystyrene Viewed from Time-Resolved Measurements of Infrared Spectra at the Various Temperatures and Its Simulation by Molecular Dynamics Calculation Yoshioka, Akiko; Tashiro, Kohji Macromolecules, Vol. 37, Issue 2 https://doi.org/10.1021/ma035505z	journal	December 2003
Morphology of Evaporated Multiblock Copolymer Membranes Studied by Molecular Dynamics Simulations Tsige, Mesfin; Mattsson, Thomas R.; Grest, Gary S. Macromolecules, Vol. 37, Issue 24 https://doi.org/10.1021/ma048509s	journal	November 2004
Topological Paths and Transient Morphologies during Formation of Mesoporous Block Copolymer Membranes Stegelmeier, Corinna; Filiz, Volkan; Abetz, Volker Macromolecules, Vol. 47, Issue 16 https://doi.org/10.1021/ma5004908	journal	August 2014
Adsorption Dynamics. Extension of Self-Consistent Field Theory to Dynamical Problems Hasegawa, Ryuichi; Doi, Masao Macromolecules, Vol. 30, Issue 10 https://doi.org/10.1021/ma961618p	journal	May 1997
Formation of Interfaces in Incompatible Polymer Blends: A Dynamical Mean Field Study Yeung, Chuck; Shi, An-Chang Macromolecules, Vol. 32, Issue 11 https://doi.org/10.1021/ma981648n	journal	June 1999
Block Copolymer Self Assembly during Rapid Solvent Evaporation: Insights into Cylinder Growth and Stability Paradiso, Sean P.; Delaney, Kris T.; García-Cervera, Carlos J. ACS Macro Letters, Vol. 3, Issue 1 https://doi.org/10.1021/mz400572r	journal	December 2013
Materials for next-generation desalination and water purification membranes Werber, Jay R.; Osuji, Chinedum O.; Elimelech, Menachem Nature Reviews Materials, Vol. 1, Issue 5 https://doi.org/10.1038/natrevmats.2016.18	journal	April 2016
Asymmetric superstructure formed in a block copolymer via phase separation Peinemann, Klaus-Viktor; Abetz, Volker; Simon, Peter F. W. Nature Materials, Vol. 6, Issue 12 https://doi.org/10.1038/nmat2038	journal	November 2007
Self-assembly of block copolymers Mai, Yiyong; Eisenberg, Adi Chemical Society Reviews, Vol. 41, Issue 18 https://doi.org/10.1039/c2cs35115c	journal	January 2012
Self-assembly in casting solutions of block copolymer membranes Marques, Debora Salomon; Vainio, Ulla; Chaparro, Nicolas Moreno Soft Matter, Vol. 9, Issue 23 https://doi.org/10.1039/c3sm27475f	journal	January 2013
Design of block copolymer membranes using segregation strength trend lines Sutisna, Burhannudin; Polymeropoulos, Georgios; Musteata, Valentina Molecular Systems Design & Engineering, Vol. 1, Issue 3 https://doi.org/10.1039/c6me00033a	journal	January 2016
A multi-fluid model for microstructure formation in polymer membranes Tree, Douglas R.; Delaney, Kris T.; Ceniceros, Hector D. Soft Matter, Vol. 13, Issue 16 https://doi.org/10.1039/c6sm02839j	journal	January 2017
Mass-transfer driven spinodal decomposition in a ternary polymer solution Tree, Douglas R.; F. Dos Santos, Lucas; Wilson, Caden B. Soft Matter, Vol. 15, Issue 23 https://doi.org/10.1039/c9sm00355j	journal	January 2019
Theory of inhomogeneous polymers: Fundamentals of the Gaussian random‐walk model Helfand, Eugene The Journal of Chemical Physics, Vol. 62, Issue 3 https://doi.org/10.1063/1.430517	journal	February 1975
Dynamic density functional theory for microphase separation kinetics of block copolymer melts Fraaije, J. G. E. M. The Journal of Chemical Physics, Vol. 99, Issue 11 https://doi.org/10.1063/1.465536	journal	December 1993
A multi-species exchange model for fully fluctuating polymer field theory simulations Düchs, Dominik; Delaney, Kris T.; Fredrickson, Glenn H. The Journal of Chemical Physics, Vol. 141, Issue 17 https://doi.org/10.1063/1.4900574	journal	November 2014
Efficient field-theoretic simulation of polymer solutions Villet, Michael C.; Fredrickson, Glenn H. The Journal of Chemical Physics, Vol. 141, Issue 22 https://doi.org/10.1063/1.4902886	journal	December 2014
The Future of Seawater Desalination: Energy, Technology, and the Environment Elimelech, M.; Phillip, W. A. Science, Vol. 333, Issue 6043 https://doi.org/10.1126/science.1200488	journal	August 2011
Numerical Solution of Polymer Self-Consistent Field Theory Ceniceros, Hector D.; Fredrickson, Glenn H. Multiscale Modeling & Simulation, Vol. 2, Issue 3 https://doi.org/10.1137/030601338	journal	January 2004
Resource Recovery from Wastewater by Biological Technologies: Opportunities, Challenges, and Prospects Puyol, Daniel; Batstone, Damien J.; Hülsen, Tim Frontiers in Microbiology, Vol. 7 https://doi.org/10.3389/fmicb.2016.02106	journal	January 2017
Water Supply and Water Scarcity Tzanakakis, Vasileios A.; Paranychianakis, Nikolaos V.; Angelakis, Andreas N. Water, Vol. 12, Issue 9 https://doi.org/10.3390/w12092347	journal	August 2020

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Related Subjects

36 MATERIALS SCIENCE
Block copolymer
Glass transitions
Glassy dynamics
Mass transfer
Mean field theory
Membrane technology
Membranes
Micelles
Polymers
Random phase approximation
Thermal fluctuations
Thin films

Title: Investigating microstructure evolution in block copolymer membranes

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References (51)

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