Experimental and simulation studies of gas sorption processes in polycarbonate films

This work reports the experimental isotherms describing the concentration of oxygen and nitrogen in poly(bisphenol A carbonate-co-4,4′-(3,3,5-trimethylcyclohexylidene) diphenol carbonate) vs pressure, at 30 °C. The solubility coefficients are interpreted in terms of the Flory–Huggins theory, obtaining reasonable values for the enthalpic polymer-gas parameter. A new method is outlined to simulate the probabilities of inserting/removing a gas molecule in a host matrix already containing n molecules of gas. The simulated isotherms representing the pressure dependence of the concentration exhibit the same pattern as those experimentally obtained.