Molecular Simulation and Computational Modeling of Gas Separation Through Polycarbonate/p-nitroaniline/zeolite 4A Mixed Matrix Membranes

Hossein Riasat Harami,Amir Dashti,Pooria Ghahramani Pirsalami,Suresh K. Bhatia,A.F. Ismail,P.S. Goh

Molecular Simulation and Computational Modeling of Gas Separation Through Polycarbonate/p-nitroaniline/zeolite 4A Mixed Matrix Membranes

2020

Hossein Riasat Harami
Amir Dashti
Pooria Ghahramani Pirsalami
Suresh K. Bhatia
A.F. Ismail
P.S. Goh

We develop novel methods to estimate the gas permeation within the mixed matrix membranes (MMMs) fabricated by polycarbonate (PC), p-nitroaniline (pNA), zeolite 4A. To this end, molecular simulatio...

Keywords:

Polycarbonate
molecular simulation
P-Nitroaniline
Membrane
Permeation
Zeolite
Gas separation
Chemical engineering
mixed matrix
Materials science

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