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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Geppert-Rybczyńska, Monika
University of Silesia
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (4/4 displayed)
- 2024Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu<sub>2</sub>(tebpz) MOFcitations
- 2021The effect of surface entropy on the heat of non-wetting liquid intrusion into nanoporescitations
- 2021Synthetic strategy matters : the study of a different kind of PVP as micellar vehicles of metronidazolecitations
- 2020Impact of confinement on the dynamics and H-bonding pattern in low-molecular weight poly(propylene glycols)citations
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article
Counterintuitive Trend of Intrusion Pressure with Temperature in the Hydrophobic Cu<sub>2</sub>(tebpz) MOF
Abstract
<jats:title>Abstract</jats:title><jats:p>Liquid porosimetry experiments reveal a peculiar trend of the intrusion pressure of water in hydrophobic Cu<jats:sub>2</jats:sub>(3,3′,5,5′‐tetraethyl‐4,4′‐bipyrazolate) MOF. At lower temperature (<jats:italic>T</jats:italic>) range, the intrusion pressure (<jats:italic>P<jats:sup>i</jats:sup></jats:italic>) increases with <jats:italic>T</jats:italic>. For higher <jats:italic>T</jats:italic> values, <jats:italic>P<jats:sup>i</jats:sup></jats:italic> first reaches a maximum and then decreases. This is at odds with the Young–Laplace law, which for systems showing a continuous decrease of contact angle with <jats:italic>T</jats:italic> predicts a corresponding reduction of the intrusion pressure. Though the Young–Laplace law is not expected to provide quantitative predictions at the subnanoscale of Cu<jats:sub>2</jats:sub>(tebpz) pores, the physical intuition suggests that to a reduction of their hydrophobicity corresponds a reduction of the <jats:italic>P<jats:sup>i</jats:sup></jats:italic>. Molecular dynamics simulations and sychrothron experiments allowed to clarify the mechanism of the peculiar trend of <jats:italic>P<jats:sup>i</jats:sup></jats:italic> with <jats:italic>T</jats:italic>. At increasing temperatures the vapor density within the MOF’ pores grows significantly, bringing the corresponding partial pressure to ≈5 MPa. This pressure, which is consistent with the shift of <jats:italic>P<jats:sup>i</jats:sup></jats:italic> observed in liquid porosimetry, represents a threshold to be overcame before intrusion takes place. Beyond some value of temperature, the phenomenon of reduction of hydrophobicity (and water surface tension) dominated over the opposite effect of increase of vapor pressure and <jats:italic>P<jats:sup>i</jats:sup></jats:italic> inverts its trend with <jats:italic>T</jats:italic>.</jats:p>