Influence of Hydronium Ions in Zeolites on Sorption

Eckstein, Sebastian; Hintermeier, Peter H.; Zhao, Ruixue; Baráth, Eszter; Shi, Hui; Liu, Yue; Lercher, Johannes A.

doi:10.1002/anie.201812184

Title: Influence of Hydronium Ions in Zeolites on Sorption

Authors:

Eckstein, Sebastian ^[1]; Hintermeier, Peter H. ^[1]; Zhao, Ruixue ^[1]; Baráth, Eszter ^[1]; Shi, Hui ^[2];

^[1];

^[2]

Department of Chemistry and Catalysis Research Center Technische Universität München Lichtenbergstraße 4 85747 Garching Germany
Department of Chemistry and Catalysis Research Center Technische Universität München Lichtenbergstraße 4 85747 Garching Germany, Institute for Integrated Catalysis Pacific Northwest National Laboratory P.O. Box 999 Richland WA 99352 USA

Publication Date:: 2019-02-06

Sponsoring Org.:: USDOE

OSTI Identifier:: 1493636

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: 11; Journal ID: ISSN 1433-7851

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Eckstein, Sebastian, Hintermeier, Peter H., Zhao, Ruixue, Baráth, Eszter, Shi, Hui, Liu, Yue, and Lercher, Johannes A. Influence of Hydronium Ions in Zeolites on Sorption.  Germany: N. p., 2019. 
Web.  doi:10.1002/anie.201812184.

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                    Eckstein, Sebastian, Hintermeier, Peter H., Zhao, Ruixue, Baráth, Eszter, Shi, Hui, Liu, Yue, & Lercher, Johannes A. Influence of Hydronium Ions in Zeolites on Sorption.  Germany.  https://doi.org/10.1002/anie.201812184

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                    Eckstein, Sebastian, Hintermeier, Peter H., Zhao, Ruixue, Baráth, Eszter, Shi, Hui, Liu, Yue, and Lercher, Johannes A. Wed .  
"Influence of Hydronium Ions in Zeolites on Sorption".  Germany.  https://doi.org/10.1002/anie.201812184.

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@article{osti_1493636,

  title        = {Influence of Hydronium Ions in Zeolites on Sorption},

  author       = {Eckstein, Sebastian and Hintermeier, Peter H. and Zhao, Ruixue and Baráth, Eszter and Shi, Hui and Liu, Yue and Lercher, Johannes A.},

  abstractNote = {},

  doi          = {10.1002/anie.201812184},

  journal      = {Angewandte Chemie (International Edition)},

  number       = 11,

  volume       = 58,

  place        = {Germany},

  year         = {2019},

  month        = {2}

}

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Works referenced in this record:

Influence of the Framework Density and the Effective Electronegativity of Silica and Aluminophosphate Molecular Sieves on the Heat of Adsorption of Nonpolar Molecules
journal, January 1996

Jänchen, J.; Stach, H.; Uytterhoeven, L.
The Journal of Physical Chemistry, Vol. 100, Issue 30
DOI: 10.1021/jp953791d

Hydrogen bonding and biological specificity analysed by protein engineering
journal, March 1985

Fersht, Alan R.; Shi, Jian-Ping; Knill-Jones, Jack
Nature, Vol. 314, Issue 6008
DOI: 10.1038/314235a0

Removal of Phenol from Water by Adsorption Using Zeolites
journal, August 2004

Khalid, Mohamed; Joly, Guy; Renaud, Arlette
Industrial & Engineering Chemistry Research, Vol. 43, Issue 17
DOI: 10.1021/ie0400447

Effects of Zeolite Membrane Structure on the Separation of 1,3-Propanediol from Glycerol and Glucose by Pervaporation
journal, May 2001

Li, Shiguang; Tuan, Vu A.; Falconer, John L.
Chemistry of Materials, Vol. 13, Issue 5
DOI: 10.1021/cm000907w

Proton Transfer, Acid-Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES
journal, January 1964

Eigen, M.
Angewandte Chemie International Edition in English, Vol. 3, Issue 1
DOI: 10.1002/anie.196400011

Effect of Hydrophilic Defects on Water Transport in MFI Zeolites
journal, May 2014

Humplik, Thomas; Raj, Rishi; Maroo, Shalabh C.
Langmuir, Vol. 30, Issue 22
DOI: 10.1021/la500939t

Hydratstruktur und zwischenmolekulare Wechselwirkung in Polyelektrolyten
journal, July 1969

Zundel, G.
Angewandte Chemie, Vol. 81, Issue 14
DOI: 10.1002/ange.19690811402

Catalytic Consequences of Spatial Constraints and Acid Site Location for Monomolecular Alkane Activation on Zeolites
journal, February 2009

Gounder, Rajamani; Iglesia, Enrique
Journal of the American Chemical Society, Vol. 131, Issue 5
DOI: 10.1021/ja808292c

Enhancing the catalytic activity of hydronium ions through constrained environments
journal, March 2017

Liu, Yuanshuai; Vjunov, Aleksei; Shi, Hui
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/ncomms14113

Intensified Biobutanol Recovery by using Zeolites with Complementary Selectivity
journal, July 2017

Van der Perre, Stijn; Gelin, Pierre; Claessens, Benjamin
ChemSusChem, Vol. 10, Issue 14
DOI: 10.1002/cssc.201700667

Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite
journal, January 2014

Joshi, Kaushik L.; Psofogiannakis, George; van Duin, Adri C. T.
Phys. Chem. Chem. Phys., Vol. 16, Issue 34
DOI: 10.1039/C4CP02612H

Tailoring nanoscopic confines to maximize catalytic activity of hydronium ions
journal, May 2017

Shi, Hui; Eckstein, Sebastian; Vjunov, Aleksei
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/ncomms15442

Wechselwirkungen mit aromatischen Ringen in chemischen und biologischen Erkennungsprozessen
journal, March 2003

Meyer, Emmanuel A.; Castellano, Ronald K.; Diederich, François
Angewandte Chemie, Vol. 115, Issue 11
DOI: 10.1002/ange.200390290

A simple method for displaying the hydropathic character of a protein
journal, May 1982

Kyte, Jack; Doolittle, Russell F.
Journal of Molecular Biology, Vol. 157, Issue 1, p. 105-132
DOI: 10.1016/0022-2836(82)90515-0

Use of water as a probe of zeolitic properties: interaction of water with HZSM-5
journal, April 2000

Olson, D. H.; Haag, W. O.; Borghard, W. S.
Microporous and Mesoporous Materials, Vol. 35-36
DOI: 10.1016/S1387-1811(99)00240-1

Elementary steps and reaction pathways in the aqueous phase alkylation of phenol with ethanol
journal, August 2017

Eckstein, Sebastian; Hintermeier, Peter H.; Olarte, Mariefel V.
Journal of Catalysis, Vol. 352
DOI: 10.1016/j.jcat.2017.06.002

The Structure of the Hydrogen Ion (H _aq ⁺ ) in Water
journal, February 2010

Stoyanov, Evgenii S.; Stoyanova, Irina V.; Reed, Christopher A.
Journal of the American Chemical Society, Vol. 132, Issue 5
DOI: 10.1021/ja9101826

Supramolecular catalysis. Part 2: artificial enzyme mimics
journal, January 2014

Raynal, Matthieu; Ballester, Pablo; Vidal-Ferran, Anton
Chem. Soc. Rev., Vol. 43, Issue 5
DOI: 10.1039/C3CS60037H

FTIR Adsorption Studies of H ₂ O and CH ₃ OH in the Isostructural H-SSZ-13 and H-SAPO-34: Formation of H-Bonded Adducts and Protonated Clusters
journal, April 2005

Bordiga, Silvia; Regli, Laura; Lamberti, Carlo
The Journal of Physical Chemistry B, Vol. 109, Issue 16
DOI: 10.1021/jp044324b

Interactions with Aromatic Rings in Chemical and Biological Recognition
journal, March 2003

Meyer, Emmanuel A.; Castellano, Ronald K.; Diederich, François
Angewandte Chemie International Edition, Vol. 42, Issue 11
DOI: 10.1002/anie.200390319

New insights in the formation of silanol defects in silicalite-1 by water intrusion under high pressure
journal, January 2010

Karbowiak, Thomas; Saada, Mohamed-Ali; Rigolet, Séverinne
Physical Chemistry Chemical Physics, Vol. 12, Issue 37
DOI: 10.1039/c000931h

Mechanistic insights into aqueous phase propanol dehydration in H-ZSM-5 zeolite
journal, October 2016

Mei, Donghai; Lercher, Johannes A.
AIChE Journal, Vol. 63, Issue 1
DOI: 10.1002/aic.15517

Measurements of heat capacity and heat of vaporization of water in the range 0 degrees to 100 degrees C
journal, August 1939

Osborne, N. S.; Stimson, H. F.; Ginnings, D. C.
Journal of Research of the National Bureau of Standards, Vol. 23, Issue 2
DOI: 10.6028/jres.023.008

Structure and Energetics of the Hydronium Hydration Shells
journal, March 2007

Markovitch, Omer; Agmon, Noam
The Journal of Physical Chemistry A, Vol. 111, Issue 12
DOI: 10.1021/jp068960g

Protonenübertragung, Säure-Base-Katalyse und enzymatische Hydrolyse. Teil I: Elementarvorgänge
journal, June 1963

Eigen, M.
Angewandte Chemie, Vol. 75, Issue 12
DOI: 10.1002/ange.19630751202

Hydration Structure and Intermolecular Interaction in Polyelectrolytes
journal, July 1969

Zundel, G.
Angewandte Chemie International Edition in English, Vol. 8, Issue 7
DOI: 10.1002/anie.196904991

Role of Spatial Constraints of Brønsted Acid Sites for Adsorption and Surface Reactions of Linear Pentenes
journal, June 2017

Schallmoser, Stefan; Haller, Gary L.; Sanchez-Sanchez, Maricruz
Journal of the American Chemical Society, Vol. 139, Issue 25
DOI: 10.1021/jacs.7b03690

Estimation of dealumination rate of ZSM-5 zeolite by adsorption of water vapor
journal, April 1996

Sano, T.; Yamashita, N.; Iwami, Y.
Zeolites, Vol. 16, Issue 4
DOI: 10.1016/0144-2449(95)00161-1

A geometric solution to the largest-free-sphere problem in zeolite frameworks
journal, March 2006

Foster, M. D.; Rivin, I.; Treacy, M. M. J.
Microporous and Mesoporous Materials, Vol. 90, Issue 1-3
DOI: 10.1016/j.micromeso.2005.08.025

Adsorption of small organic pollutants from aqueous streams by aluminosilicate-based microporous materials
journal, May 1997

Shu, Huai-Te; Li, Danyun; Scala, Alfred A.
Separation and Purification Technology, Vol. 11, Issue 1
DOI: 10.1016/S1383-5866(96)01005-2

A ‘clusters-in-liquid’ method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions
journal, November 2012

Kulig, Waldemar; Agmon, Noam
Nature Chemistry, Vol. 5, Issue 1
DOI: 10.1038/nchem.1503

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In presence of sufficient concentrations of water, stable hydrated hydronium ions are formed in inorganic solid acids such as zeolites. In their presence larger organic molecules can only adsorb in the pore volume not occupied by hydronium ions. In consequence, the available pore volume decreases proportionally to their concentrations. The higher charge density (the increasing ionic strength) induced by increasing hydronium ion concentration in zeolite crystalline induces higher activity coefficients of adsorbed substrates, weakening the interactions between the organic part of the molecules, favoring instead interactions with polar groups. The insight allows linking a collective property such as hydrophilicity andmore »« less
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Similar Records

Title: Influence of Hydronium Ions in Zeolites on Sorption

Citation Formats

Influence of the Framework Density and the Effective Electronegativity of Silica and Aluminophosphate Molecular Sieves on the Heat of Adsorption of Nonpolar Molecules journal, January 1996

Hydrogen bonding and biological specificity analysed by protein engineering journal, March 1985

Removal of Phenol from Water by Adsorption Using Zeolites journal, August 2004

Effects of Zeolite Membrane Structure on the Separation of 1,3-Propanediol from Glycerol and Glucose by Pervaporation journal, May 2001

Proton Transfer, Acid-Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES journal, January 1964

Effect of Hydrophilic Defects on Water Transport in MFI Zeolites journal, May 2014

Hydratstruktur und zwischenmolekulare Wechselwirkung in Polyelektrolyten journal, July 1969

Catalytic Consequences of Spatial Constraints and Acid Site Location for Monomolecular Alkane Activation on Zeolites journal, February 2009

Enhancing the catalytic activity of hydronium ions through constrained environments journal, March 2017

Intensified Biobutanol Recovery by using Zeolites with Complementary Selectivity journal, July 2017

Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite journal, January 2014

Tailoring nanoscopic confines to maximize catalytic activity of hydronium ions journal, May 2017

Wechselwirkungen mit aromatischen Ringen in chemischen und biologischen Erkennungsprozessen journal, March 2003

A simple method for displaying the hydropathic character of a protein journal, May 1982

Use of water as a probe of zeolitic properties: interaction of water with HZSM-5 journal, April 2000

Elementary steps and reaction pathways in the aqueous phase alkylation of phenol with ethanol journal, August 2017

The Structure of the Hydrogen Ion (H aq + ) in Water journal, February 2010

Supramolecular catalysis. Part 2: artificial enzyme mimics journal, January 2014

FTIR Adsorption Studies of H 2 O and CH 3 OH in the Isostructural H-SSZ-13 and H-SAPO-34: Formation of H-Bonded Adducts and Protonated Clusters journal, April 2005

Interactions with Aromatic Rings in Chemical and Biological Recognition journal, March 2003

New insights in the formation of silanol defects in silicalite-1 by water intrusion under high pressure journal, January 2010

Mechanistic insights into aqueous phase propanol dehydration in H-ZSM-5 zeolite journal, October 2016

Measurements of heat capacity and heat of vaporization of water in the range 0 degrees to 100 degrees C journal, August 1939

Structure and Energetics of the Hydronium Hydration Shells journal, March 2007

Protonenübertragung, Säure-Base-Katalyse und enzymatische Hydrolyse. Teil I: Elementarvorgänge journal, June 1963

Hydration Structure and Intermolecular Interaction in Polyelectrolytes journal, July 1969

Role of Spatial Constraints of Brønsted Acid Sites for Adsorption and Surface Reactions of Linear Pentenes journal, June 2017

Estimation of dealumination rate of ZSM-5 zeolite by adsorption of water vapor journal, April 1996

A geometric solution to the largest-free-sphere problem in zeolite frameworks journal, March 2006

Adsorption of small organic pollutants from aqueous streams by aluminosilicate-based microporous materials journal, May 1997

A ‘clusters-in-liquid’ method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions journal, November 2012

Influence of the Framework Density and the Effective Electronegativity of Silica and Aluminophosphate Molecular Sieves on the Heat of Adsorption of Nonpolar Molecules
journal, January 1996

Hydrogen bonding and biological specificity analysed by protein engineering
journal, March 1985

Removal of Phenol from Water by Adsorption Using Zeolites
journal, August 2004

Effects of Zeolite Membrane Structure on the Separation of 1,3-Propanediol from Glycerol and Glucose by Pervaporation
journal, May 2001

Proton Transfer, Acid-Base Catalysis, and Enzymatic Hydrolysis. Part I: ELEMENTARY PROCESSES
journal, January 1964

Effect of Hydrophilic Defects on Water Transport in MFI Zeolites
journal, May 2014

Hydratstruktur und zwischenmolekulare Wechselwirkung in Polyelektrolyten
journal, July 1969

Catalytic Consequences of Spatial Constraints and Acid Site Location for Monomolecular Alkane Activation on Zeolites
journal, February 2009

Enhancing the catalytic activity of hydronium ions through constrained environments
journal, March 2017

Intensified Biobutanol Recovery by using Zeolites with Complementary Selectivity
journal, July 2017

Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite
journal, January 2014

Tailoring nanoscopic confines to maximize catalytic activity of hydronium ions
journal, May 2017

Wechselwirkungen mit aromatischen Ringen in chemischen und biologischen Erkennungsprozessen
journal, March 2003

A simple method for displaying the hydropathic character of a protein
journal, May 1982

Use of water as a probe of zeolitic properties: interaction of water with HZSM-5
journal, April 2000

Elementary steps and reaction pathways in the aqueous phase alkylation of phenol with ethanol
journal, August 2017

The Structure of the Hydrogen Ion (H _aq ⁺ ) in Water
journal, February 2010

Supramolecular catalysis. Part 2: artificial enzyme mimics
journal, January 2014

FTIR Adsorption Studies of H ₂ O and CH ₃ OH in the Isostructural H-SSZ-13 and H-SAPO-34: Formation of H-Bonded Adducts and Protonated Clusters
journal, April 2005

Interactions with Aromatic Rings in Chemical and Biological Recognition
journal, March 2003

New insights in the formation of silanol defects in silicalite-1 by water intrusion under high pressure
journal, January 2010

Mechanistic insights into aqueous phase propanol dehydration in H-ZSM-5 zeolite
journal, October 2016

Measurements of heat capacity and heat of vaporization of water in the range 0 degrees to 100 degrees C
journal, August 1939

Structure and Energetics of the Hydronium Hydration Shells
journal, March 2007

Protonenübertragung, Säure-Base-Katalyse und enzymatische Hydrolyse. Teil I: Elementarvorgänge
journal, June 1963

Hydration Structure and Intermolecular Interaction in Polyelectrolytes
journal, July 1969

Role of Spatial Constraints of Brønsted Acid Sites for Adsorption and Surface Reactions of Linear Pentenes
journal, June 2017

Estimation of dealumination rate of ZSM-5 zeolite by adsorption of water vapor
journal, April 1996

A geometric solution to the largest-free-sphere problem in zeolite frameworks
journal, March 2006

Adsorption of small organic pollutants from aqueous streams by aluminosilicate-based microporous materials
journal, May 1997

A ‘clusters-in-liquid’ method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions
journal, November 2012