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We present a realistic phenomenological description of liquid transport through defective, layered membranes. We derive general expressions based on conventional models of laminar flow and extend the formalism to accommodate slip flow. We…
Graphdiyne is a novel two-dimensional material deriving from graphene that has been recently synthesized and featuring uniformly distributed sub-nanometer pores. We report accurate calculations showing that graphdiyne pores permit an almost…
In this work a 1D finite volume based model using coupled meshes is introduced to capture potential and species distribution throughout the discharge process in a lithium bismuth liquid metal battery while neglecting hydrodynamic effects,…
Zeolite channels can be used as effective hydrocarbon traps. Earlier experiments (Czaplewski {\sl et al.}, 2002) show that the presence of large aromatic molecules (toluene) block the diffusion of light hydrocarbon molecules (propane)…
The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…
We introduce a new set of large scale, high resolution hydrodynamical simulations of the intergalactic medium: the Sherwood simulation suite. These are performed in volumes 10^3-160^3 h^-3 comoving Mpc^{3}, span almost four orders of…
We present a macrohomogeneous two-phase model of a proton exchange membrane fuel cell (PEMFC). The model takes into account the mechanical compression of the gas diffusion layer (GDL), the two-phase flow of water, the transport of the gas…
The aim of this paper is to propose a new numerical model to simulate 2D vesicles interacting with a newtonian fluid. The inextensible membrane is modeled by a chain of circular rigid particles which are maintained in cohesion by using two…
Non-equilibrium transport of particles embedded in a liquid crystal host can, by cooling through a phase transition, be exploited to create a remarkable variety of structures including shells, foams, and gels. Due to the complexity of the…
Unraveling the atomistic and the electronic structure of solid-liquid interfaces is the key to the design of new materials for many important applications, from heterogeneous catalysis to battery technology. Density functional theory (DFT)…
Soft particles display highly versatile properties with respect to hard colloids, even more so at fluid-fluid interfaces. In particular, microgels, consisting of a cross-linked polymer network, are able to deform and flatten upon adsorption…
We first highlight theoretically a microfluidic configuration that allows to measure two fundamental parameters describing mass transport through a membrane: the solute permeability coefficient $\mathcal{L}_D$, and the associated reflection…
Biomolecular condensates organize biochemical processes by spatially concentrating molecules while allowing for dynamic exchange with their surroundings. However, transport across their interface can be strongly attenuated, leading to…
Complex plasma mixtures with three or more components are often encountered in astrophysics or in inertial confinement fusion (ICF) experiments. For mixtures containing species with large differences in atomic number Z, the modeling needs…
Many porous media are mixtures of inert and reactive materials, manifesting spatio-chemical heterogeneity. We study the evolution of scalar transport in a chemically heterogeneous material that mimics a green roof soil substrate,…
Permeability of hydrogen isotopes in molten salts is commonly inferred from permeation experiments using simplified one-dimensional interpretations, which may not capture the coupled transport pathways present in realistic systems. In this…
We develop an explicit second order staggered finite difference discretization scheme for simulating the transport of highly heterogeneous gas mixtures through pipeline networks. This study is motivated by the proposed blending of hydrogen…
Oxygen transport membranes(OTMs)have provided great opportunities in the last decades but are suffering from the trade-off effect between stability and oxygen permeability. Here, we report a group of new planar dual-phase mixed…
Polymer membranes are typically assumed to be inert and nonresponsive to the flux and density of the permeating particles in transport processes. Here, we study theoretically the consequences of membrane responsiveness and feedback on the…
A way forward for high throughput fabrication of microcapsules with uniform size and mechanical properties was reported irrespective of the kinetic process of shell assembly. Microcapsules were produced using lab-scale emulsification…