Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces

Piotr Kowalczyk, Marek Wiśniewski, Artur Deditius, Jerzy Włoch, Artur P. Terzyk, Wendell P Ela, Katsumi Kaneko, Paul A. Webley, Alexander V. Neimark

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Pages (from-to)15150-15159
Number of pages10
JournalLangmuir
Volume34
Issue number50
DOIs
StatePublished - Dec 18 2018
Externally publishedYes

Fingerprint

Phenol
phenols
Phenols
slits
cavities
Water
water
Carbon
Adsorption
adsorption
carbon
aqueous solutions
nonelectrolytes
porosity
purification
assemblies
Pore size
Purification
Molecular dynamics
molecular dynamics

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry

Cite this

Kowalczyk, P., Wiśniewski, M., Deditius, A., Włoch, J., Terzyk, A. P., Ela, W. P., ... Neimark, A. V. (2018). Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces. Langmuir, 34(50), 15150-15159. https://doi.org/10.1021/acs.langmuir.8b02832

Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces. / Kowalczyk, Piotr; Wiśniewski, Marek; Deditius, Artur; Włoch, Jerzy; Terzyk, Artur P.; Ela, Wendell P; Kaneko, Katsumi; Webley, Paul A.; Neimark, Alexander V.

In: Langmuir, Vol. 34, No. 50, 18.12.2018, p. 15150-15159.

Research output: Contribution to journalArticle

Kowalczyk, P, Wiśniewski, M, Deditius, A, Włoch, J, Terzyk, AP, Ela, WP, Kaneko, K, Webley, PA & Neimark, AV 2018, 'Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces', Langmuir, vol. 34, no. 50, pp. 15150-15159. https://doi.org/10.1021/acs.langmuir.8b02832
Kowalczyk P, Wiśniewski M, Deditius A, Włoch J, Terzyk AP, Ela WP et al. Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces. Langmuir. 2018 Dec 18;34(50):15150-15159. https://doi.org/10.1021/acs.langmuir.8b02832
Kowalczyk, Piotr ; Wiśniewski, Marek ; Deditius, Artur ; Włoch, Jerzy ; Terzyk, Artur P. ; Ela, Wendell P ; Kaneko, Katsumi ; Webley, Paul A. ; Neimark, Alexander V. / Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces. In: Langmuir. 2018 ; Vol. 34, No. 50. pp. 15150-15159.
@article{7040a8f2a478440ebc5732d9ddeb145b,
title = "Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces",
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.",
author = "Piotr Kowalczyk and Marek Wiśniewski and Artur Deditius and Jerzy Włoch and Terzyk, {Artur P.} and Ela, {Wendell P} and Katsumi Kaneko and Webley, {Paul A.} and Neimark, {Alexander V.}",
year = "2018",
month = "12",
day = "18",
doi = "10.1021/acs.langmuir.8b02832",
language = "English (US)",
volume = "34",
pages = "15150--15159",
journal = "Langmuir",
issn = "0743-7463",
publisher = "American Chemical Society",
number = "50",

}

TY - JOUR

T1 - Phenol Molecular Sheets Woven by Water Cavities in Hydrophobic Slit Nanospaces

AU - Kowalczyk, Piotr

AU - Wiśniewski, Marek

AU - Deditius, Artur

AU - Włoch, Jerzy

AU - Terzyk, Artur P.

AU - Ela, Wendell P

AU - Kaneko, Katsumi

AU - Webley, Paul A.

AU - Neimark, Alexander V.

PY - 2018/12/18

Y1 - 2018/12/18

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85058119026&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85058119026&partnerID=8YFLogxK

U2 - 10.1021/acs.langmuir.8b02832

DO - 10.1021/acs.langmuir.8b02832

M3 - Article

C2 - 30449103

AN - SCOPUS:85058119026

VL - 34

SP - 15150

EP - 15159

JO - Langmuir

JF - Langmuir

SN - 0743-7463

IS - 50

ER -