subianto-optimizingahigh-2019.pdf (11.62 MB)
Optimizing a high-entropy system: software-assisted development of highly hydrophobic surfaces using an amphiphilic polymer
journal contribution
posted on 2019-01-01, 00:00 authored by Surya SubiantoSurya Subianto, Cheng Li, David Rubin De Celis LealDavid Rubin De Celis Leal, Santu RanaSantu Rana, Sunil GuptaSunil Gupta, Rongliang HeRongliang He, Svetha VenkateshSvetha Venkatesh, Alessandra SuttiAlessandra SuttiIn materials science, the investigation of a large and complex experimental space is time-consuming and thus may induce bias to exclude potential solutions where little to no knowledge is available. This work presents the development of a highly hydrophobic material from an amphiphilic polymer through a novel, adaptive artificial intelligence approach. The hydrophobicity arises from the random packing of short polymer fibers into paper, a highly entropic, multistep process. Using Bayesian optimization, the algorithm is able to efficiently navigate the parameter space without bias, including areas which a human experimenter would not address. This resulted in additional knowledge gain, which can then be applied to the fabrication process, resulting in a highly hydrophobic material (static water contact angle 135°) from an amphiphilic polymer (contact angle of 90°) through a simple and scalable filtration-based method. This presents a potential pathway for surface modification using the short polymer fibers to create fluorine-free hydrophobic surfaces on a larger scale.
History
Journal
ACS omegaVolume
4Issue
14Pagination
15912 - 15922Publisher
American Chemical SocietyLocation
Washington, D.C.Publisher DOI
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eISSN
2470-1343Language
engPublication classification
C1 Refereed article in a scholarly journalUsage metrics
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