ﻻ يوجد ملخص باللغة العربية
In the popular solution-diffusion picture, the membrane permeability is defined as the product of the partition ratio and the diffusivity of penetrating solutes inside the membrane in the linear response regime, i.e., in equilibrium. However, of practical importance is the penetrants flux across the membrane driven by external forces. Here, we study nonequilibrium membrane permeation orchestrated by a uniform external driving field using molecular computer simulations and continuum (Smoluchowski) theory in the stationary state. In the simulations, we explicitly resolve the penetrants transport across a finite monomer-resolved polymer network, addressing one-component penetrant systems and mixtures. We introduce and discuss possible definitions of nonequilibrium, force-dependent permeability, representing `system and `membrane permeability. In particular, we present for the first time a definition of the differential permeability response to the force. We demonstrate that the latter turns out to be significantly nonlinear for low-permeable systems, leading to a high amount of selectiveness in permeability, called `permselectivity, and is tunable by the driving force. Our continuum-level analytical solutions exhibit remarkable qualitative agreement with the penetrant- and polymer-resolved simulations, thereby allowing us to characterize the underlying mechanism of permeabilities and steady-state transport beyond the linear response level.
We propose a `phase diagram for particulate systems that interact via purely repulsive contact forces, such as granular media and colloidal suspensions. We identify and characterize two distinct classes of behavior as a function of the input kinetic
For a wide range of modern soft functional materials the selective transport of sub-nanometer-sized molecules (`penetrants) through a stimuli-responsive polymeric membrane is key to the desired function. In this study, we investigate the diffusion pr
We study the driven translocation of polymers under time-dependent driving forces using $N$-particle Langevin dynamics simulations. We consider the force to be either sinusoidally oscillating in time or dichotomic noise with exponential correlation t
The uptake and sorption of charged molecules by responsive polymer membranes and hydrogels in aqueous solutions is of key importance for the development of soft functional materials. Here we investigate the partitioning of simple monoatomic (Na$^+$,
The complex interplay between the various attractive and repulsive forces that mediate between biological membranes governs an astounding array of biological functions: cell adhesion, membrane fusion, self-assembly, binding-unbinding transition among