Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals

Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals

Soft porous crystals hold big promise as functional nanoporous materials due to their stimuli responsive flexibility. Here, molecular dynamics simulations reveal a new type of spatial disorder in mesoscale crystals that helps to understand the size-dependency of their phase transition behavior.

Bibliographic Details
Main Authors: Sven M. J. Rogge, Michel Waroquier, Veronique Van Speybroeck
Format: Article
Language:English
Published: Nature Publishing Group 2019-10-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-019-12754-w
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spelling doaj-433ace48cce5477bbe6a73ffb22df8f42021-05-11T12:09:15ZengNature Publishing GroupNature Communications2041-17232019-10-0110111010.1038/s41467-019-12754-wUnraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystalsSven M. J. Rogge0Michel Waroquier1Veronique Van Speybroeck2Center for Molecular Modeling (CMM), Ghent UniversityCenter for Molecular Modeling (CMM), Ghent UniversityCenter for Molecular Modeling (CMM), Ghent UniversitySoft porous crystals hold big promise as functional nanoporous materials due to their stimuli responsive flexibility. Here, molecular dynamics simulations reveal a new type of spatial disorder in mesoscale crystals that helps to understand the size-dependency of their phase transition behavior.https://doi.org/10.1038/s41467-019-12754-w
collection DOAJ
language English
format Article
sources DOAJ
author Sven M. J. Rogge
Michel Waroquier
Veronique Van Speybroeck
spellingShingle Sven M. J. Rogge
Michel Waroquier
Veronique Van Speybroeck
Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
Nature Communications
author_facet Sven M. J. Rogge
Michel Waroquier
Veronique Van Speybroeck
author_sort Sven M. J. Rogge
title Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
title_short Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
title_full Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
title_fullStr Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
title_full_unstemmed Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
title_sort unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
publisher Nature Publishing Group
series Nature Communications
issn 2041-1723
publishDate 2019-10-01
description Soft porous crystals hold big promise as functional nanoporous materials due to their stimuli responsive flexibility. Here, molecular dynamics simulations reveal a new type of spatial disorder in mesoscale crystals that helps to understand the size-dependency of their phase transition behavior.
url https://doi.org/10.1038/s41467-019-12754-w
work_keys_str_mv AT svenmjrogge unravelingthethermodynamiccriteriaforsizedependentspontaneousphaseseparationinsoftporouscrystals
AT michelwaroquier unravelingthethermodynamiccriteriaforsizedependentspontaneousphaseseparationinsoftporouscrystals
AT veroniquevanspeybroeck unravelingthethermodynamiccriteriaforsizedependentspontaneousphaseseparationinsoftporouscrystals
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