skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on September 30, 2020

Title: Defect‐Mediated Ordering of Condensed Water Structures in Microporous Zeolites

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Charles D. Davidson School of Chemical EngineeringPurdue University 480 Stadium Mall Drive West Lafayette IN 47907 USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1567908
Grant/Contract Number:  
[SC0010379]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
[Journal Name: Angewandte Chemie (International Edition) Journal Volume: 58 Journal Issue: 46]; Journal ID: ISSN 1433-7851
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Bukowski, Brandon C., Bates, Jason S., Gounder, Rajamani, and Greeley, Jeffrey. Defect‐Mediated Ordering of Condensed Water Structures in Microporous Zeolites. Germany: N. p., 2019. Web. doi:10.1002/anie.201908151.
Bukowski, Brandon C., Bates, Jason S., Gounder, Rajamani, & Greeley, Jeffrey. Defect‐Mediated Ordering of Condensed Water Structures in Microporous Zeolites. Germany. doi:10.1002/anie.201908151.
Bukowski, Brandon C., Bates, Jason S., Gounder, Rajamani, and Greeley, Jeffrey. Mon . "Defect‐Mediated Ordering of Condensed Water Structures in Microporous Zeolites". Germany. doi:10.1002/anie.201908151.
@article{osti_1567908,
title = {Defect‐Mediated Ordering of Condensed Water Structures in Microporous Zeolites},
author = {Bukowski, Brandon C. and Bates, Jason S. and Gounder, Rajamani and Greeley, Jeffrey},
abstractNote = {},
doi = {10.1002/anie.201908151},
journal = {Angewandte Chemie (International Edition)},
number = [46],
volume = [58],
place = {Germany},
year = {2019},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 30, 2020
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Energetics: A New Field of Applications for Hydrophobic Zeolites
journal, August 2001

  • Eroshenko, Valentin; Regis, Robert-Charles; Soulard, Michel
  • Journal of the American Chemical Society, Vol. 123, Issue 33
  • DOI: 10.1021/ja011011a

Active Sites in Sn-Beta for Glucose Isomerization to Fructose and Epimerization to Mannose
journal, May 2014

  • Bermejo-Deval, Ricardo; Orazov, Marat; Gounder, Rajamani
  • ACS Catalysis, Vol. 4, Issue 7, p. 2288-2297
  • DOI: 10.1021/cs500466j

Thermodynamics of water intrusion in nanoporous hydrophobic solids
journal, January 2008

  • Cailliez, Fabien; Trzpit, Mickael; Soulard, Michel
  • Physical Chemistry Chemical Physics, Vol. 10, Issue 32
  • DOI: 10.1039/b807471b

Behavior of Water in the Hydrophobic Zeolite Silicalite at Different Temperatures. A Molecular Dynamics Study
journal, May 2003

  • Demontis, Pierfranco; Stara, Giovanna; Suffritti, Giuseppe B.
  • The Journal of Physical Chemistry B, Vol. 107, Issue 18
  • DOI: 10.1021/jp0300849

First principles, microkinetic, and experimental analysis of Lewis acid site speciation during ethanol dehydration on Sn-Beta zeolites
journal, September 2018


Deconstructing the Confinement Effect upon the Organization and Dynamics of Water in Hydrophobic Nanoporous Materials: Lessons Learned from Zeolites
journal, September 2017

  • Zhou, Tiecheng; Bai, Peng; Siepmann, J. Ilja
  • The Journal of Physical Chemistry C, Vol. 121, Issue 40
  • DOI: 10.1021/acs.jpcc.7b04991

Post-synthesis Snβ: An exploration of synthesis parameters and catalysis
journal, October 2015


Superhydrophobic Carbon Nanotube Forests
journal, December 2003

  • Lau, Kenneth K. S.; Bico, José; Teo, Kenneth B. K.
  • Nano Letters, Vol. 3, Issue 12
  • DOI: 10.1021/nl034704t

Beyond shape selective catalysis with zeolites: Hydrophobic void spaces in zeolites enable catalysis in liquid water
journal, January 2013

  • Gounder, Rajamani; Davis, Mark E.
  • AIChE Journal, Vol. 59, Issue 9, p. 3349-3358
  • DOI: 10.1002/aic.14016

Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K
journal, May 2008

  • Puibasset, Joël; Pellenq, Roland J. -M.
  • The Journal of Physical Chemistry B, Vol. 112, Issue 20
  • DOI: 10.1021/jp7097153

Genesis and Stability of Hydronium Ions in Zeolite Channels
journal, January 2019

  • Wang, Meng; Jaegers, Nicholas R.; Lee, Mal-Soon
  • Journal of the American Chemical Society, Vol. 141, Issue 8
  • DOI: 10.1021/jacs.8b07969

The architecture of complex weighted networks
journal, March 2004

  • Barrat, A.; Barthelemy, M.; Pastor-Satorras, R.
  • Proceedings of the National Academy of Sciences, Vol. 101, Issue 11
  • DOI: 10.1073/pnas.0400087101

Highly Porous, Homochiral Metal-Organic Frameworks: Solvent-Exchange-Induced Single-Crystal to Single-Crystal Transformations
journal, March 2005

  • Wu, Chuan-De; Lin, Wenbin
  • Angewandte Chemie International Edition, Vol. 44, Issue 13
  • DOI: 10.1002/anie.200462711

Distribution of open sites in Sn-Beta zeolite
journal, June 2017


Voronoi polyhedra and Delaunay simplexes in the structural analysis of molecular-dynamics-simulated materials
journal, June 1998

  • Brostow, Witold; Chybicki, Mieczyslaw; Laskowski, Robert
  • Physical Review B, Vol. 57, Issue 21
  • DOI: 10.1103/PhysRevB.57.13448

Dehydration Pathways of 1-Propanol on HZSM-5 in the Presence and Absence of Water
journal, December 2015

  • Zhi, Yuchun; Shi, Hui; Mu, Linyu
  • Journal of the American Chemical Society, Vol. 137, Issue 50
  • DOI: 10.1021/jacs.5b09107

The Effect of Local Defects on Water Adsorption in Silicalite-1 Zeolite:  A Joint Experimental and Molecular Simulation Study
journal, September 2007

  • Trzpit, M.; Soulard, M.; Patarin, J.
  • Langmuir, Vol. 23, Issue 20
  • DOI: 10.1021/la7011205

Water-Soluble Single-Walled Carbon Nanotubes via Noncovalent Sidewall-Functionalization with a Pyrene-Carrying Ammonium Ion
journal, June 2002

  • Nakashima, Naotoshi; Tomonari, Yasuhiko; Murakami, Hiroto
  • Chemistry Letters, Vol. 31, Issue 6
  • DOI: 10.1246/cl.2002.638

Dynamical behavior of one-dimensional water molecule chains in zeolites: Nanosecond time-scale molecular dynamics simulations of bikitaite
journal, May 2004

  • Demontis, Pierfranco; Stara, Giovanna; Suffritti, Giuseppe B.
  • The Journal of Chemical Physics, Vol. 120, Issue 19
  • DOI: 10.1063/1.1697382

Water in Carbon Nanotubes: The Peculiar Hydrogen Bond Network Revealed by Infrared Spectroscopy
journal, August 2016

  • Dalla Bernardina, Simona; Paineau, Erwan; Brubach, Jean-Blaise
  • Journal of the American Chemical Society, Vol. 138, Issue 33
  • DOI: 10.1021/jacs.6b02635

Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water
journal, March 2010

  • Moliner, M.; Roman-Leshkov, Y.; Davis, M. E.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 14, p. 6164-6168
  • DOI: 10.1073/pnas.1002358107

The behaviour of water confined in zeolites: molecular dynamics simulations versus experiment
journal, June 2010


Water conduction through the hydrophobic channel of a carbon nanotube
journal, November 2001

  • Hummer, G.; Rasaiah, J. C.; Noworyta, J. P.
  • Nature, Vol. 414, Issue 6860
  • DOI: 10.1038/35102535

Voronoi trees and clustering problems
journal, January 1987


Deconstructing Hydrogen-Bond Networks in Confined Nanoporous Materials: Implications for Alcohol–Water Separation
journal, August 2014

  • Wang, Chun-Hung; Bai, Peng; Siepmann, J. Ilja
  • The Journal of Physical Chemistry C, Vol. 118, Issue 34
  • DOI: 10.1021/jp502867v

Predicting the Activity of Single Isolated Lewis Acid Sites in Solid Catalysts
journal, September 2006

  • Boronat, Mercedes; Corma, Avelino; Renz, Michael
  • Chemistry - A European Journal, Vol. 12, Issue 27
  • DOI: 10.1002/chem.200600478

Formation of ordered ice nanotubes inside carbon nanotubes
journal, August 2001

  • Koga, Kenichiro; Gao, G. T.; Tanaka, Hideki
  • Nature, Vol. 412, Issue 6849
  • DOI: 10.1038/35090532

Activation of Carbonyl-Containing Molecules with Solid Lewis Acids in Aqueous Media
journal, October 2011

  • Román-Leshkov, Yuriy; Davis, Mark E.
  • ACS Catalysis, Vol. 1, Issue 11
  • DOI: 10.1021/cs200411d