Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework
Abstract
Here, the enthalpy of water adsorption (Δh) on the metal–organic framework (MOF) HKUST-1 has been determined directly by calorimetry. The most exothermic value of Δh [–119.4 ± 0.5 kJ/(mol of water)] occurs at zero coverage and perhaps represents water confinement in the smallest (4-Å) cages. An intermediate Δh value of –50.2 ± 1.8 kJ/(mol of water) at higher loading probably corresponds to the binding of water on the available Cu nodes and subsequent filling of the largest (11-Å) pores. The weakest interactions take place in the medium (10-Å) cages, showing weak inclusion of water clusters in a limited hydrophobic environment. By combining ethanol adsorption calorimetry, mathematical analysis of the slope of the water adsorption isotherm, and the differential enthalpy of water adsorption curve, we are able not only to develop an approach to separate energetically multistage guest–host interactions in complex MOF architectures but also to distinguish a sequence of interactions with very similar energetic effects.
- Authors:
-
- Univ. of California, Davis, CA (United States)
- Univ. of California, Davis, CA (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- East China Univ. of Science and Technology, Shanghai (China)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1247324
- Report Number(s):
- LA-UR-15-25804
Journal ID: ISSN 1932-7447
- Grant/Contract Number:
- FG02-05ER15667; 21201063; AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 120; Journal Issue: 14; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Wu, Di, Guo, Xiaofeng, Sun, Hui, and Navrotsky, Alexandra. Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework. United States: N. p., 2016.
Web. doi:10.1021/acs.jpcc.5b12239.
Wu, Di, Guo, Xiaofeng, Sun, Hui, & Navrotsky, Alexandra. Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework. United States. https://doi.org/10.1021/acs.jpcc.5b12239
Wu, Di, Guo, Xiaofeng, Sun, Hui, and Navrotsky, Alexandra. Thu .
"Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework". United States. https://doi.org/10.1021/acs.jpcc.5b12239. https://www.osti.gov/servlets/purl/1247324.
@article{osti_1247324,
title = {Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework},
author = {Wu, Di and Guo, Xiaofeng and Sun, Hui and Navrotsky, Alexandra},
abstractNote = {Here, the enthalpy of water adsorption (Δh) on the metal–organic framework (MOF) HKUST-1 has been determined directly by calorimetry. The most exothermic value of Δh [–119.4 ± 0.5 kJ/(mol of water)] occurs at zero coverage and perhaps represents water confinement in the smallest (4-Å) cages. An intermediate Δh value of –50.2 ± 1.8 kJ/(mol of water) at higher loading probably corresponds to the binding of water on the available Cu nodes and subsequent filling of the largest (11-Å) pores. The weakest interactions take place in the medium (10-Å) cages, showing weak inclusion of water clusters in a limited hydrophobic environment. By combining ethanol adsorption calorimetry, mathematical analysis of the slope of the water adsorption isotherm, and the differential enthalpy of water adsorption curve, we are able not only to develop an approach to separate energetically multistage guest–host interactions in complex MOF architectures but also to distinguish a sequence of interactions with very similar energetic effects.},
doi = {10.1021/acs.jpcc.5b12239},
journal = {Journal of Physical Chemistry. C},
number = 14,
volume = 120,
place = {United States},
year = {Thu Mar 24 00:00:00 EDT 2016},
month = {Thu Mar 24 00:00:00 EDT 2016}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 14 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Reticular synthesis and the design of new materials
journal, June 2003
- Yaghi, Omar M.; O'Keeffe, Michael; Ockwig, Nathan W.
- Nature, Vol. 423, Issue 6941, p. 705-714
Transported into fuel cells
journal, December 2009
- Kitagawa, Hiroshi
- Nature Chemistry, Vol. 1, Issue 9
Metal–Organic Frameworks and Self-Assembled Supramolecular Coordination Complexes: Comparing and Contrasting the Design, Synthesis, and Functionality of Metal–Organic Materials
journal, November 2012
- Cook, Timothy R.; Zheng, Yao-Rong; Stang, Peter J.
- Chemical Reviews, Vol. 113, Issue 1
Rational Design, Synthesis, Purification, and Activation of Metal−Organic Framework Materials
journal, August 2010
- Farha, Omar K.; Hupp, Joseph T.
- Accounts of Chemical Research, Vol. 43, Issue 8, p. 1166-1175
The Chemistry and Applications of Metal-Organic Frameworks
journal, August 2013
- Furukawa, H.; Cordova, K. E.; O'Keeffe, M.
- Science, Vol. 341, Issue 6149, p. 1230444-1230444
Metal–organic framework materials as catalysts
journal, January 2009
- Lee, JeongYong; Farha, Omar K.; Roberts, John
- Chemical Society Reviews, Vol. 38, Issue 5, p. 1450-1459
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
journal, March 2015
- McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian
- Nature, Vol. 519, Issue 7543
Selective gas adsorption and separation in metal–organic frameworks
journal, January 2009
- Li, Jian-Rong; Kuppler, Ryan J.; Zhou, Hong-Cai
- Chemical Society Reviews, Vol. 38, Issue 5, p. 1477-1504
Carbon Dioxide Capture in Metal–Organic Frameworks
journal, September 2011
- Sumida, Kenji; Rogow, David L.; Mason, Jarad A.
- Chemical Reviews, Vol. 112, Issue 2, p. 724-781
Highly Permeable Zeolite Imidazolate Framework-8 Membranes for CO 2 /CH 4 Separation
journal, January 2010
- Venna, Surendar R.; Carreon, Moises A.
- Journal of the American Chemical Society, Vol. 132, Issue 1
Development and Evaluation of Porous Materials for Carbon Dioxide Separation and Capture
journal, October 2011
- Bae, Youn-Sang; Snurr, Randall Q.
- Angewandte Chemie International Edition, Vol. 50, Issue 49
Methane Storage in Metal–Organic Frameworks: Current Records, Surprise Findings, and Challenges
journal, July 2013
- Peng, Yang; Krungleviciute, Vaiva; Eryazici, Ibrahim
- Journal of the American Chemical Society, Vol. 135, Issue 32, p. 11887-11894
BioMOFs: Metal-Organic Frameworks for Biological and Medical Applications
journal, July 2010
- McKinlay, Alistair C.; Morris, Russell E.; Horcajada, Patricia
- Angewandte Chemie International Edition, Vol. 49, Issue 36, p. 6260-6266
Metal–Organic Framework Materials as Chemical Sensors
journal, September 2011
- Kreno, Lauren E.; Leong, Kirsty; Farha, Omar K.
- Chemical Reviews, Vol. 112, Issue 2, p. 1105-1125
A Chemically Functionalizable Nanoporous Material [Cu3(TMA)2(H2O)3]n
journal, February 1999
- Chui, Stephen S.-Y.; Lo, Samuel M.-F.; Charmant, Jonathan P. H.
- Science, Vol. 283, Issue 5405, p. 1148-1150
Coordination-Chemistry Control of Proton Conductivity in the Iconic Metal–Organic Framework Material HKUST-1
journal, December 2011
- Jeong, Nak Cheon; Samanta, Bappaditya; Lee, Chang Yeon
- Journal of the American Chemical Society, Vol. 134, Issue 1
Insights into Adsorption of NH 3 on HKUST-1 Metal–Organic Framework: A Multitechnique Approach
journal, September 2012
- Borfecchia, Elisa; Maurelli, Sara; Gianolio, Diego
- The Journal of Physical Chemistry C, Vol. 116, Issue 37
Characterization of metal-organic frameworks by water adsorption
journal, April 2009
- Küsgens, Pia; Rose, Marcus; Senkovska, Irena
- Microporous and Mesoporous Materials, Vol. 120, Issue 3, p. 325-330
Nanopore Structure and Sorption Properties of Cu−BTC Metal−Organic Framework
journal, June 2003
- Vishnyakov, Aleksey; Ravikovitch, Peter I.; Neimark, Alexander V.
- Nano Letters, Vol. 3, Issue 6
Direct measurements of water adsorption enthalpy on hafnia and zirconia
journal, October 2005
- Ushakov, Sergey V.; Navrotsky, Alexandra
- Applied Physics Letters, Vol. 87, Issue 16
Size-Driven Structural and Thermodynamic Complexity in Iron Oxides
journal, March 2008
- Navrotsky, A.; Mazeina, L.; Majzlan, J.
- Science, Vol. 319, Issue 5870
Nanophase Transition Metal Oxides Show Large Thermodynamically Driven Shifts in Oxidation-Reduction Equilibria
journal, October 2010
- Navrotsky, Alexandra; Ma, Chengcheng; Lilova, Kristina
- Science, Vol. 330, Issue 6001
Energy Landscape of Water and Ethanol on Silica Surfaces
journal, June 2015
- Wu, Di; Guo, Xiaofeng; Sun, Hui
- The Journal of Physical Chemistry C, Vol. 119, Issue 27
Probing the energetics of organic–nanoparticle interactions of ethanol on calcite
journal, April 2015
- Wu, Di; Navrotsky, Alexandra
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 17
Thermodynamic complexity of carbon capture in alkylamine-functionalized metal–organic frameworks
journal, January 2015
- Wu, D.; McDonald, T. M.; Quan, Z.
- Journal of Materials Chemistry A, Vol. 3, Issue 8
Direct Calorimetric Measurement of Enthalpy of Adsorption of Carbon Dioxide on CD-MOF-2, a Green Metal–Organic Framework
journal, April 2013
- Wu, Di; Gassensmith, Jeremiah J.; Gouvêa, Douglas
- Journal of the American Chemical Society, Vol. 135, Issue 18
Thermodynamics of Methane Adsorption on Copper HKUST-1 at Low Pressure
journal, June 2015
- Wu, Di; Guo, Xiaofeng; Sun, Hui
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 13
Thermochemistry of Paddle Wheel MOFs: Cu-HKUST-1 and Zn-HKUST-1
journal, June 2013
- Bhunia, Manas K.; Hughes, James T.; Fettinger, James C.
- Langmuir, Vol. 29, Issue 25
Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF
journal, November 2010
- Grajciar, Lukáš; Bludský, Ota; Nachtigall, Petr
- The Journal of Physical Chemistry Letters, Vol. 1, Issue 23
Prediction of Water Adsorption in Copper-Based Metal–Organic Frameworks Using Force Fields Derived from Dispersion-Corrected DFT Calculations
journal, April 2013
- Zang, Ji; Nair, Sankar; Sholl, David S.
- The Journal of Physical Chemistry C, Vol. 117, Issue 15
Water Adsorption in Porous Metal–Organic Frameworks and Related Materials
journal, March 2014
- Furukawa, Hiroyasu; Gándara, Felipe; Zhang, Yue-Biao
- Journal of the American Chemical Society, Vol. 136, Issue 11, p. 4369-4381
Energetics of Confinement of n -Hexane in Ca–Na Ion Exchanged Zeolite A
journal, October 2014
- Sun, Hui; Wu, Di; Guo, Xiaofeng
- The Journal of Physical Chemistry C, Vol. 118, Issue 44
Universal solvent restructuring induced by colloidal nanoparticles
journal, January 2015
- Zobel, M.; Neder, R. B.; Kimber, S. A. J.
- Science, Vol. 347, Issue 6219
Works referencing / citing this record:
Hydrophobic Metal–Organic Frameworks: Assessment, Construction, and Diverse Applications
journal, January 2020
- Xie, Lin‐Hua; Xu, Ming‐Ming; Liu, Xiao‐Min
- Advanced Science, Vol. 7, Issue 4
Surface energetics of carbon nanotubes–based nanocomposites fabricated by microwave-assisted approach
journal, August 2019
- Li, Gengnan; Sarwar, Shatila; Zhang, Xianghui
- Journal of Materials Research, Vol. 34, Issue 19
Real-time monitoring of surface acetone enolization and aldolization
journal, January 2020
- Li, Houqian; Sun, Junming; Li, Gengnan
- Catalysis Science & Technology, Vol. 10, Issue 4