Related papers: A methodology of quantifying membrane permeability…
Determining the effective permeability (keff) of geological formations has broad applications to site remediation, aquifer discharge or recharge, hydrocarbon production, and enhanced oil recovery. The objectives of this study are: (1) to…
The reverse osmosis membrane module is an integral element of a desalination system as it determines the overall performance of the desalination plant. The fraction of clean water that can be recovered via this process is often limited by…
The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into…
Diffusion through semipermeable interfaces has a wide range of applications, ranging from molecular transport through biological membranes to reverse osmosis for water purification using artificial membranes. At the single-particle level,…
Magnetic Resonance Elastography allows noninvasive visualization of tissue mechanical properties by measuring the displacements resulting from applied stresses, and fitting a mechanical model. Poroelasticity naturally lends itself to…
We study the diffusion of a linear polymer in the presence of permeable membranes without excluded volume interactions, using scaling theory and Monte Carlo simulations. We find that the average time it takes for a chain with polymerization…
This work deals with the inference of catalytic recombination parameters from plasma wind tunnel experiments for reusable thermal protection materials. One of the critical factors affecting the performance of such materials is the…
The impact of wettability on the co-moving velocity of two-fluid flow in porous media is analyzed herein. The co-moving velocity, developed by Roy et al. (2022), is a novel representation of the flow behavior of two fluids through porous…
In this paper we present analytical and random walk based solutions to diffusion in semi-permeable layered media with varying diffusivity. We propose a new random walk transit model (hybrid model) based on treating the membrane permeability…
Previous research based on electronic structure calculations and molecular dynamics (MD) simulations have demonstrated that graphdiyne (GDY) is a very suitable two-dimensional membrane for the separation of small molecules in a gas mixture…
Pore-resolved direct numerical simulations of turbulent open channel flow are performed comparing the structure and dynamics of turbulence over impermeable rough and smooth walls to a porous sediment bed at permeability Reynolds number…
We present a continuum model trained on molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid types. The model is constructed within the formalism of dynamic density functional theory and can be…
Phantom systems consisting of liposome suspensions are widely employed to investigate quantitative MRI parameters mimicking cellular membranes. The proper physical understanding of the measurement results, however, requires proper models…
Understanding fluid movement in multi-pored materials is vital for energy security and physiology. For instance, shale (a geological material) and bone (a biological material) exhibit multiple pore networks. Double porosity/permeability…
Wettability is a pore-scale property that impacts the relative movement and distribution of fluids in a porous medium. There are reservoir fluids that provoke the surface within pores to undergo a wettability change. This wettability…
How many times a diffusing molecule can permeate across a membrane or be adsorbed on a substrate? We employ the encounter-based approach to find the statistics of adsorption or permeation events for molecular diffusion in a general…
Under typical PEM fuel cell operating conditions, part of membrane electrode assembly is subjected to humidity cycling due to variation of inlet gas RH and/or flow rate. Cyclic membrane hydration/dehydration would cause cyclic…
We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…
An analytical model of mechanical stress in a polymer electrolyte membrane (PEM) of a hydrogen/air fuel cell with porous Water Transfer Plates (WTP) is developed in this work. The model considers a mechanical stress in the membrane is a…
Recently, methanol was identified as a sensitive target system to probe variations of the proton-to-electron mass ratio $\mu$ [Jansen \emph{et al.} Phys. Rev. Lett. \textbf{106}, 100801 (2011)]. The high sensitivity of methanol originates…