forsyth-predictinggasselectivity-2021.pdf (527.84 kB)
Download filePredicting gas selectivity in organic ionic plastic crystals by free energy calculations
journal contribution
posted on 2021-01-01, 00:00 authored by V S Kandagal, Jenny PringleJenny Pringle, Maria ForsythMaria Forsyth, Fangfang ChenFangfang ChenThe free energy calculation shows the different free energy changes of the adsorption and absorption of gas molecules into an organic ionic plastic crystal, successfully predicting the gas selectivity of this new type of gas separation material.