Structural and dynamical properties of liquids in confinements: A review of molecular dynamics simulation studies
R Horstmann, L Hecht, S Kloth, M Vogel - Langmuir, 2022 - ACS Publications
Molecular dynamics (MD) simulations are a powerful tool for detailed studies of altered
properties of liquids in confinement, in particular, of changed structures and dynamics. They …
properties of liquids in confinement, in particular, of changed structures and dynamics. They …
Water as a tuneable solvent: a perspective
E Breynaert, M Houlleberghs… - Chemical Society …, 2020 - pubs.rsc.org
Water is the sustainable solvent of excellence, but its high polarity limits the solubility of non-
polar compounds. Confinement of water in hydrophobic pores alters its hydrogen bonding …
polar compounds. Confinement of water in hydrophobic pores alters its hydrogen bonding …
Pulsed field gradient NMR diffusion measurement in nanoporous materials
Labeling in diffusion measurements by pulsed field gradient (PFG) NMR is based on the
observation of the phase of nuclear spins acquired in a constant magnetic field with …
observation of the phase of nuclear spins acquired in a constant magnetic field with …
Ice-water equilibrium in nanoscale confinement
V Schiller, M Vogel - Physical Review Letters, 2024 - APS
We show that 2D H 2 NMR spectra enable valuable insights into the nature of an ice-water
equilibrium in nanoscale confinement, which extends over a broad temperature range. In …
equilibrium in nanoscale confinement, which extends over a broad temperature range. In …
The nature of the low-temperature crossover of water in hard confinement
Y Beilinson, V Schiller, J Regentin… - The Journal of …, 2023 - ACS Publications
The dynamics of water confined in mesoporous MIP (2–3 nm pores in size) with silica gel
(secondary silica; further, the abbreviation SG will be used) and MAP (10–35 nm pores in …
(secondary silica; further, the abbreviation SG will be used) and MAP (10–35 nm pores in …
Small molecules, non-covalent interactions, and confinement
G Buntkowsky, M Vogel - Molecules, 2020 - mdpi.com
This review gives an overview of current trends in the investigation of small guest molecules,
confined in neat and functionalized mesoporous silica materials by a combination of solid …
confined in neat and functionalized mesoporous silica materials by a combination of solid …
NMR relaxometry accessing the relaxation spectrum in molecular glass formers
M Becher, A Lichtinger, R Minikejew, M Vogel… - International Journal of …, 2022 - mdpi.com
It is a longstanding question whether universality or specificity characterize the molecular
dynamics underlying the glass transition of liquids. In particular, there is an ongoing debate …
dynamics underlying the glass transition of liquids. In particular, there is an ongoing debate …
Dynamics of water confined in mesopores with variable surface interaction
A Jani, M Busch, JB Mietner, J Ollivier… - The journal of …, 2021 - pubs.aip.org
We have investigated the dynamics of liquid water confined in mesostructured porous silica
(MCM-41) and periodic mesoporous organosilicas (PMOs) by incoherent quasielastic …
(MCM-41) and periodic mesoporous organosilicas (PMOs) by incoherent quasielastic …
Dynamical susceptibilities of confined water from room temperature to the glass transition
E Steinrücken, M Weigler, V Schiller… - The Journal of Physical …, 2023 - ACS Publications
We confine water to narrow silica pores, where crystallization is suppressed, and determine
the dynamical susceptibilities of the liquid from room temperature down to the glass …
the dynamical susceptibilities of the liquid from room temperature down to the glass …
Static field gradient NMR studies of water diffusion in mesoporous silica
M Weigler, E Winter, B Kresse, M Brodrecht… - Physical Chemistry …, 2020 - pubs.rsc.org
NMR diffusometry is used to ascertain the pore-size dependent water diffusion in MCM-41
and SBA-15 silica over broad temperature ranges. Detailed analysis of 1H and 2H NMR …
and SBA-15 silica over broad temperature ranges. Detailed analysis of 1H and 2H NMR …