Dynamic analysis of adsorbate behavior in nanopores: Liquid bridge formation, cavitation, and contact angle evaluation via molecular dynamics simulations

ZT He, CM Wu, J Yu, YR Li - Journal of Molecular Liquids, 2024 - Elsevier
To explore the internal transport mechanisms and evolutionary processes within nanopore,
molecular dynamic simulations were employed to explore the formation of liquid bridges and …

Comparison of water and benzene as probe liquids in thermoporometry of mesoporous carbons

L Kořená, V Slovák, G Zelenková - Microporous and Mesoporous Materials, 2024 - Elsevier
Water and benzene were compared as probe liquids for thermoporometric characterization
of mesoporous carbons. For testing, four different carbonaceous materials were prepared by …

MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl

S Siwaipram, PA Bopp, P Ponchai, JC Soetens… - Journal of Molecular …, 2022 - Elsevier
The lattice of the flexible Metal–Organic Framework (MOF) MIL-88B (Fe)-Cl is strongly
modified when it is subjected to methanol vapor, increasing its volume by more than 130 …

The Effect of Pore Size in Thermoporometry of Mesoporous Carbons

L Korena, V Slovák, SL Flores-López… - Available at SSRN … - papers.ssrn.com
The individual effect of pore size on the melting behaviour of probe liquid confined in
materials pores and on parameters used for transformation of differential scanning …