Molecular Simulation of Gas Permeation in Rubbery Polymer Membrane

Molecular simulation of nonfacilitated membrane permeation.

This is a review. Non-electrolytic compounds typically cross cell membranes by passive diffusion. The rate of permeation is dependent on the chemical properties of the solute and the composition of the lipid bilayer membrane. Predicting the permeability coefficient of a solute is important in pharmaceutical chemistry and toxicology. Molecular simulation has proven to be a valuable tool for mode...

Molecular Dynamics Simulation of Permeation in Polymers

Mechanistic insight into highly efficient gas permeation and separation in a shape-persistent ladder polymer membrane.

A fully atomistic simulation study is reported to provide mechanistic insight into the superior performance experimentally observed for a polymer membrane (Carta et al., Science, 2013, 339, 303-307). The membrane namely PIM-EA-TB is produced by a shape-persistent ladder polymer of intrinsic microporosity (PIM) with rigid bridged bicyclic ethanoanthracene (EA) and Tröger's base (TB). The simulat...

Gas Permeation Modeling through a Multilayer Hollow Fiber Composite Membrane

In this study, a time-dependent 2D axisymmetric model of a multilayer hollow fiber composite membrane for gas separation is proposed. In spite of the common multilayer membranes, which a dense layer coated on a porous support layer and subjected into the feed stream, here, the porous support is exposed to the feed gas. In this regard, the governing equations of species transport are developed f...

Direct Lithography of Rubbery Oste+ Polymer

We present a Rubbery, Off-Stoichiometric Thiol-Ene-epoxy (OSTE+) polymer for direct lithography manufacturing, demonstrate its use in pneumatic pinch microvalves for lab-on-chip applications, test the lithography process achieving pillars of aspect-ratios (a.r.) 1:8, and characterize it’s surface as hydrophilic.