(152bh) Computer-Aided Molecular Design and Fabrication of Membrane Materials and Their Application in Gas Separation

In this study the gas separation performance of computer-aided molecular designed and print-assisted flat sheet membranes is investigated. Avogadro software was used to design two types of polymeric membranes, namely Methylendianiline (MDA) and Oxydianiline (ODA). The designed membrane were then fabricated using an inkjet printer. The performance of these membranes was evaluated in terms permeability and selectivity using four gases (CO₂, H₂, N₂, and CH₄). The tests were performed at 25^oC and 1.34bar. The selectivity for single layer of MDA ranges from 1.3 to 7.59 while for the ODA single layer, the values of the selectivity are in the range of 1.3 to 6.48. The overall results showed that membrane with seven layers has a better selectivity than those with single layer. Also, the performance of MDA is better than ODA. A major observation is how the fabricated mimic the gas separation performance of MDA and ODA that has been published in literature.