Pure and Modified Co-Poly(amide-12-b-ethylene oxide) Membranes for Gas Separation Studied by Molecular Investigations

Membranes

Luana De Lorenzo²  Elena Tocci¹  Annarosa Gugliuzza¹ 

[1] Institute on Membrane Technology ITM-CNR, University of Calabria, 87030 Rende (CS), Italy;

关键词: PEBAX;    membrane;    gas separation;    molecular dynamics simulations;   

DOI  :  10.3390/membranes2030346

来源: mdpi

【 摘 要 】

This paper deals with a theoretical investigation of gas transport properties in a pure and modified PEBAX block copolymer membrane with N-ethyl-o/p-toluene sulfonamide (KET) as additive molecules. Molecular dynamics simulations using COMPASS force field, Gusev-Suter Transition State Theory (TST) and Monte Carlo methods were used. Bulk models of PEBAX and PEBAX/KET in different copolymer/additive compositions were assembled and analyzed to evaluate gas permeability and morphology to characterize structure-performance relationships.

【 授权许可】

CC BY   
© 2012 by the authors; licensee MDPI, Basel, Switzerland.