Dynamic Sub‐Nanoscale “Water Fingers” in Interfacial Polymerization

Interfacial polymerization (IP) is widely used to fabricate high-performance membranes, yet the molecular-level dynamics that govern monomer transport across liquid-liquid interfaces remain poorly understood. Here it is reported that sub-nanoscale "water fingers"-transient chains of water molecules-modulate the interfacial behavior of amine monomers during IP, dictating the structure and performance of the resulting polyamide films. Using molecular dynamics simulations of archetypal membrane-forming systems (m-phenylenediamine (MPD)-trimesoyl chloride (TMC) for reverse osmosis and piperazine (PIP)-TMC for nanofiltration), it is revealed that water fingers differentially stabilize monomer transport across the aqueous-organic interface, correlating with experimentally observed disparities in film density and permeability. These findings offer a new physical picture of interfacial reactivity, establishing water fingers as critical, tunable elements of monomer transport. This work provides mechanistic insights into a century-old reaction and opens new design strategies for ultrathin films and interfacial materials.

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Publication Details

Journal
Small
Published
2025-06-20
DOI
https://doi.org/10.1002/smll.202504497
Citations
6
Primary Topic
Membrane Separation Technologies
Type
article
Field-Weighted Citation Impact
4.90

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article

Dynamic Sub‐Nanoscale “Water Fingers” in Interfacial Polymerization

Jinkai Yuan, Wenming Fu, Tomohisa Yoshioka, Tianmu Yuan et al.
6 citations
Small
Membrane Separation Technologies
4.90
article

Dynamic Sub‐Nanoscale “Water Fingers” in Interfacial Polymerization

Jinkai Yuan, Wenming Fu, Tomohisa Yoshioka, Tianmu Yuan, Junyong Zhu, Hideto Matsuyama, Zhaohuan Mai, John H. Lienhard, Ralph Rolly Gonzales, Yongxuan Shi, Kecheng Guan, Akshay Deshmukh, Zhan Li, Pengfei Zhang, Arata Yamamoto
article en
6 citations

Abstract

Interfacial polymerization (IP) is widely used to fabricate high-performance membranes, yet the molecular-level dynamics that govern monomer transport across liquid-liquid interfaces remain poorly understood. Here it is reported that sub-nanoscale "water fingers"-transient chains of water molecules-modulate the interfacial behavior of amine monomers during IP, dictating the structure and performance of the resulting polyamide films. Using molecular dynamics simulations of archetypal membrane-forming systems (m-phenylenediamine (MPD)-trimesoyl chloride (TMC) for reverse osmosis and piperazine (PIP)-TMC for nanofiltration), it is revealed that water fingers differentially stabilize monomer transport across the aqueous-organic interface, correlating with experimentally observed disparities in film density and permeability. These findings offer a new physical picture of interfacial reactivity, establishing water fingers as critical, tunable elements of monomer transport. This work provides mechanistic insights into a century-old reaction and opens new design strategies for ultrathin films and interfacial materials.

SmallVol. 21(33)
Centre National de la Recherche Scientifique (FR), University of Manchester (GB), Zhengzhou University (CN), Sorbonne Université (FR), Chimie de la Matière Condensée de Paris (FR), Massachusetts Institute of Technology (US), Kobe University (JP)
Japan Society for the Promotion of Science
Clean water and sanitation
Openalex Percentile: Top 5%
Membrane Separation Technologies
4.90
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