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This study combines quantum mechanical calculations to reveal how single water molecules catalyze interfacial polymerization, enabling predictive design for advanced membranes. By integrating these atomic-level insights into a physics-informed machine learning platform, the research shifts material synthesis from trial-and-error toward data-driven control of reaction kinetics and nanomorphology.
Single Water Molecule Drives Interfacial Polymerization, HKUST Finds

HKUST researchers have discovered how a single water molecule accelerates interfacial polymerization, a key technique for creating advanced materials. This finding, combined with a machine learning platform, enables predictable design for applications like water purification and microcapsule technology.
Researchers at The Hong Kong University of Science and Technology have revealed that a single water molecule is a key driver in accelerating interfacial polymerization, a surprising discovery explaining how this crucial reaction speeds up. Professor Yang Jinglei of HKUST’s Department of Mechanical and Aerospace Engineering led a collaborative team with researchers from the California Institute of Technology, the Chinese Academy of Sciences, and…
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