PMID- 37222486
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20240221
IS  - 1944-8252 (Electronic)
IS  - 1944-8244 (Print)
IS  - 1944-8244 (Linking)
VI  - 15
IP  - 50
DP  - 2023 Dec 20
TI  - Simulation of Membrane Fabrication via Solvent Evaporation and Nonsolvent-Induced 
      Phase Separation.
PG  - 57913-57927
LID - 10.1021/acsami.3c03126 [doi]
AB  - Block copolymer membranes offer a bottom-up approach to form isoporous membranes 
      that are useful for ultrafiltration of functional macromolecules, colloids, and 
      water purification. The fabrication of isoporous block copolymer membranes from a 
      mixed film of an asymmetric block copolymer and two solvents involves two stages: 
      First, the volatile solvent evaporates, creating a polymer skin, in which the 
      block copolymer self-assembles into a top layer, comprised of perpendicularly 
      oriented cylinders, via evaporation-induced self-assembly (EISA). This top layer 
      imparts selectivity onto the membrane. Subsequently, the film is brought into 
      contact with a nonsolvent, and the exchange between the remaining nonvolatile 
      solvent and nonsolvent through the self-assembled top layer results in 
      nonsolvent-induced phase separation (NIPS). Thereby, a macroporous support for 
      the functional top layer that imparts mechanical stability onto the system 
      without significantly affecting permeability is fabricated. We use a single, 
      particle-based simulation technique to investigate the sequence of both 
      processes, EISA and NIPS. The simulations identify a process window, which allows 
      for the successful in silico fabrication of integral-asymmetric, isoporous 
      diblock copolymer membranes, and provide direct insights into the spatiotemporal 
      structure formation and arrest. The role of the different thermodynamic (e.g., 
      solvent selectivity for the block copolymer components) and kinetic (e.g., 
      plasticizing effect of the solvent) characteristics is discussed.
FAU - Blagojevic, Niklas
AU  - Blagojevic N
AUID- ORCID: 0000-0002-7399-8671
AD  - Institute for Theoretical Physics, Georg-August University of Gottingen, 37077 
      Gottingen, Germany.
FAU - Muller, Marcus
AU  - Muller M
AUID- ORCID: 0000-0002-7472-973X
AD  - Institute for Theoretical Physics, Georg-August University of Gottingen, 37077 
      Gottingen, Germany.
LA  - eng
PT  - Journal Article
PT  - Review
DEP - 20230524
PL  - United States
TA  - ACS Appl Mater Interfaces
JT  - ACS applied materials & interfaces
JID - 101504991
SB  - IM
EIN - ACS Appl Mater Interfaces. 2024 Mar 6;16(9):12115. PMID: 38381780
PMC - PMC10739593
OTO - NOTNLM
OT  - copolymer membranes
OT  - evaporation-induced self-assembly
OT  - micro- and macrophase separation
OT  - nonsolvent-induced phase separation
OT  - simulation and modeling
COIS- The authors declare no competing financial interest.
EDAT- 2023/05/24 13:09
MHDA- 2023/05/24 13:10
PMCR- 2023/12/22
CRDT- 2023/05/24 08:42
PHST- 2023/05/24 13:10 [medline]
PHST- 2023/05/24 13:09 [pubmed]
PHST- 2023/05/24 08:42 [entrez]
PHST- 2023/12/22 00:00 [pmc-release]
AID - 10.1021/acsami.3c03126 [doi]
PST - ppublish
SO  - ACS Appl Mater Interfaces. 2023 Dec 20;15(50):57913-57927. doi: 
      10.1021/acsami.3c03126. Epub 2023 May 24.