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Water in mesoporous materials: investigating capillary flow, elastocapillarity, and phase transitions with molecular dynamics simulations
Citation Link: https://doi.org/10.15480/882.17446
Publikationstyp
Doctoral Thesis
Date Issued
2026
Sprache
English
Author(s)
Advisor
Referee
Title Granting Institution
Technische Universität Hamburg
Place of Title Granting Institution
Hamburg
Examination Date
2026-06-16
TORE-DOI
Citation
Technische Universität Hamburg (2026)
Water-driven mesoporous materials offer great potential for sustainable applications. This work elucidates the analytical modeling of capillary flows of water in ordered, cylindrical silica mesopores and the resulting imbibition-induced elastocapillarity. The results could support the development of novel sensors, and actuators. In addition, a method for enabling liquid-to-solid phase transitions in molecular dynamics simulations is presented. In the future this method could be used to investigate liquid-to-solid phase transitions in mesoporous materials.
Subjects
Mesoporous Materials
Capillary Flow
Elastocapillarity
Phase Transitions
Maximum Relative Entropy
Molecular Dynamics Simulations
DDC Class
620.11: Engineering Materials
530.42: Fluid Physics
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Dammann_Lars_WaterInMesoporousMaterials.pdf
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