Integrative studies of ionic liquid interface layers: bridging experiments, theoretical models and simulations
Ionic liquids (ILs) are a class of salts existing in the liquid state below 100° C, possessing
low volatility, high thermal stability as well as many highly attractive solvent and …
low volatility, high thermal stability as well as many highly attractive solvent and …
[HTML][HTML] Molecular modeling of clay minerals: A thirty-year journey and future perspectives
The growing demand for a deeper understanding and improved utilization of clay minerals
has raised a pressing need for a comprehensive review of the latest advancements and …
has raised a pressing need for a comprehensive review of the latest advancements and …
Understanding the relationship between the structural properties of three corrosion inhibitors and their surface protectiveness ability in different environments
All-atom molecular simulations and chemical quantum calculations were used to understand
the effect of the environment on the surface adsorption of corrosion inhibitor (CI) molecules …
the effect of the environment on the surface adsorption of corrosion inhibitor (CI) molecules …
Extremely slow dynamics of ionic liquid self-assembled nanostructures near a solid surface
Hypothesis: The dynamics of the self-assembled liquid nanostructure of the ionic liquids
(ILs) near a mica surface can be determined from video-rate atomic force microscopy (AFM) …
(ILs) near a mica surface can be determined from video-rate atomic force microscopy (AFM) …
PoreMS: a software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions
H Kraus, J Rybka, A Höltzel, N Trebel… - Molecular …, 2021 - Taylor & Francis
Mass transport under confinement is at the heart of all processes employing functionalised
mesoporous silica materials, such as liquid chromatography, heterogeneous catalysis, and …
mesoporous silica materials, such as liquid chromatography, heterogeneous catalysis, and …
From water solutions to ionic liquids with solid state nanopores as a perspective to study transport and translocation phenomena
Solid state nanopores are single‐molecular devices governed by nanoscale physics with a
broad potential for technological applications. However, the control of translocation speed in …
broad potential for technological applications. However, the control of translocation speed in …
[HTML][HTML] Anisotropic molecular diffusion in confinement II: A model for structurally complex particles applied to transport in thin ionic liquid films
K Höllring, A Baer, N Vučemilović-Alagić… - Journal of Colloid and …, 2024 - Elsevier
Hypothesis Diffusion in confinement is an important fundamental problem with significant
implications for applications of supported liquid phases. However, resolving the spatially …
implications for applications of supported liquid phases. However, resolving the spatially …
[HTML][HTML] Bis-polyethylene glycol-functionalized imidazolium ionic liquids: A multi-method approach towards bulk and surface properties
V Seidl, M Bosch, U Paap, M Livraghi, Z Zhai… - Journal of Ionic …, 2022 - Elsevier
Adding to the versatile class of ionic liquids, we report a new series of hydrophilic
polyethylene glycol-functionalized room-temperature ionic liquids, offering interesting …
polyethylene glycol-functionalized room-temperature ionic liquids, offering interesting …
Molecular Interactions between Ionic Liquid Lubricants and Silica Surfaces: An MD Simulation Study
The unique physicochemical properties of ionic liquids (ILs) attracted interest in their
application as lubricants of micro/nano-electromechanical systems. This work evaluates the …
application as lubricants of micro/nano-electromechanical systems. This work evaluates the …
Modelling diffusive transport of particles interacting with slit nanopore walls: The case of fullerenes in toluene filled alumina pores
Accurate modeling of diffusive transport of nanoparticles across nanopores is a particularly
challenging problem. The reason is that for such narrow pores the large surface-to-volume …
challenging problem. The reason is that for such narrow pores the large surface-to-volume …