相关论文: Molecular-scale Description of SPAN80 Desorption f…
The increasing number of experimental observations on highly concentrated electrolytes and ionic liquids show qualitative features that are distinct from dilute or moderately concentrated electrolytes, such as self-assembly, multiple-time…
Understanding of the molecular interaction between asphaltenes and other molecules, which may act as its solvents, provides insights into the nature of its stability in petroleum fluids and its phase transitions. Molecular dynamics…
A transferable potential energy function for describing the interaction between water molecules is presented. The electrostatic interaction is described rigorously using a multipole expansion. Only one expansion center is used per molecule…
This study of adsorption of normal alkanols at the oil/water interface with x-ray reflectivity and tensiometry demonstrates that the liquid to gas monolayer phase transition at the hexane/water interface is thermodynamically favorable only…
A concentrated, vertical monolayer of identical spherical squirmers, which may be bottom-heavy, and which are subjected to a linear shear flow, is modelled computationally by two different methods: Stokesian dynamics, and a…
Certain surfactant monolayers at the water-air interface have been found to undergo, at a critical surface pressure, a dynamic instability involving multiple long folds of micron width. We exploit the sharp monolayer translations…
A micron-sized droplet of bromine water immersed in a surfactant-laden oil phase can swim (S. Thutupalli, R. Seemann, S. Herminghaus, New J. Phys. 13 073021 (2011)). The bromine reacts with the surfactant at the droplet interface and…
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this…
We study heat transfer in plane Couette flow laden with rigid spherical particles by means of direct numerical simulations using a direct-forcing immersed boundary method to account for the dispersed phase. A volume of fluid approach is…
The dynamics of desorption from a submonolayer of adsorbed atoms or ions are significantly influenced by the absence or presence of lateral diffusion of the adsorbed particles. When diffusion is present, the adsorbate configuration is…
We construct a mathematical model for a diffusiophoretic motion of a deformable droplet, which is floating on a liquid surface and is driven by the surface tension gradient originating from the surface concentration field of the chemicals…
Using multispeckle x-ray photon correlation spectroscopy, we have measured the slow, wave-vector dependent dynamics of concentrated, disordered nanoemulsions composed of silicone oil droplets in water. The intermediate scattering function…
Lying-standing transitions in the first molecular monolayer at organic-inorganic interfaces strongly influence interface dipoles, energy-level alignment, and growth modes, yet their collective kinetics remain difficult to predict. Here, we…
The slow dynamics for a colloidal suspension of particles interacting with a hard-core repulsion complemented by a short-ranged attraction is discussed within the frame of mode-coupling theory for ideal glass transitions for parameter…
We investigate the conformation, position, and dynamics of core-shell nanoparticles (CSNPs) composed of a silica core encapsulated in a cross-linked poly-N-isopropylacrylamide shell at a water-oil interface for a systematic range of core…
We compute the rheological properties of inelastic hard spheres in steady shear flow for general shear rates and densities. Starting from the microscopic dynamics we generalise the Integration Through Transients (\textsc{itt}) formalism to…
One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how…
We use molecular dynamics computer simulations and nuclear magnetic resonance experiments to investigate the dynamics of water at interfaces of molecular roughness and low mobility. We find that, when approaching such interfaces, the…
We study the translational and rotational dynamics of neutrally-buoyant finite-size spheroids in hydrodynamic turbulence by means of fully resolved numerical simulations. We examine axisymmetric shapes, from oblate to prolate, and the…
The desorption characteristics of molecules on interstellar dust grains are important for modelling the behaviour of molecules in icy mantles and, critically, in describing the solid-gas interface. In this study, a series of laboratory…