Phenol molecular sheets woven by water cavities in hydrophobic slit nanospaces

P. Kowalczyk; M. Wiśniewski; A. Deditius; J. Włoch; A.P. Terzyk; W.P. Ela; K. Kaneko; P.A. Webley; A.V. Neimark

doi:10.1021/acs.langmuir.8b02832

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Phenol molecular sheets woven by water cavities in hydrophobic slit nanospaces

Journal article

Peer reviewed

Phenol molecular sheets woven by water cavities in hydrophobic slit nanospaces

P. Kowalczyk, M. Wiśniewski, A. Deditius, J. Włoch, A.P. Terzyk, W.P. Ela, K. Kaneko, P.A. Webley and A.V. Neimark

Langmuir, Vol.34(50), pp.15150-15159

2018

DOI: https://doi.org/10.1021/acs.langmuir.8b02832

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Abstract

Despite extensive research over the last several decades, the microscopic characterization of topological phases of adsorbed phenol from aqueous solutions in carbon micropores (pore size < 2.0 nm), which are believed to exhibit a solid and quasi-solid character, has not been reported. Here, we present a combined experimental and molecular level study of phenol adsorption from neutral water solutions in graphitic carbon micropores. Theoretical and experimental results show high adsorption of phenol and negligible coadsorption of water in hydrophobic graphitic micropores (super-sieving effect). Graphic processing unit-accelerated molecular dynamics simulation of phenol adsorption from water solutions in a realistic model of carbon micropores reveal the formation of two-dimensional phenol crystals with a peculiar pattern of hydrophilic–hydrophobic stripes in 0.8 nm supermicropores. In wider micropores, disordered phenol assemblies with water clusters, linear chains, and cavities of various sizes are found. The highest surface density of phenol is computed in 1.8 nm supermicropores. The percolating water cluster spanning the entire pore space is found in 2.0 nm supermicropores. Our findings open the door for the design of better materials for purification of aqueous solutions from nonelectrolyte micropollution.

Details

Title: Phenol molecular sheets woven by water cavities in hydrophobic slit nanospaces
Authors/Creators: P. Kowalczyk (Author/Creator) - Murdoch University
M. Wiśniewski (Author/Creator) - Materials Research Group (United States)
A. Deditius (Author/Creator) - Murdoch University
J. Włoch (Author/Creator) - Materials Research Group (United States)
A.P. Terzyk (Author/Creator) - Materials Research Group (United States)
W.P. Ela (Author/Creator) - Murdoch University
K. Kaneko (Author/Creator) - Shinshu University
P.A. Webley (Author/Creator) - The University of Melbourne
A.V. Neimark (Author/Creator) - Rutgers, The State University of New Jersey
Publication Details: Langmuir, Vol.34(50), pp.15150-15159
Publisher: American Chemical Society
Identifiers: 991005544822907891
Copyright: © 2018 American Chemical Society
Murdoch Affiliation: School of Engineering and Information Technology
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.90 Water Treatment; 2.90.27 Adsorption
Web Of Science research areas: Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary
ESI research areas: Chemistry