Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework

Wu, Di; Guo, Xiaofeng; Sun, Hui; Navrotsky, Alexandra

doi:10.1021/acs.jpcc.5b12239

Title: Interplay of confinement and surface energetics in the interaction of water with a metal–organic framework

Journal Article · Thu Mar 24 00:00:00 EDT 2016 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.5b12239· OSTI ID:1247324

Wu, Di ^[1]; Guo, Xiaofeng ^[2]; Sun, Hui ^[3]; Navrotsky, Alexandra ^[1]

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)

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.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-05ER15667; 21201063; AC52-06NA25396

OSTI ID:: 1247324

Report Number(s):: LA-UR-15-25804

Journal Information:: Journal of Physical Chemistry. C, Vol. 120, Issue 14; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 14 works

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