Non-equilibrium compressible lattice theories accounting for hydrogen bonding interactions: Modelling water sorption thermodynamics in fluorinated polyimides

Nonequilibrium Lattice Fluid Modeling of Gas Solubility in HAB-6FDA Polyimide and Its Thermally Rearranged Analogues

“…The thermal expansion coefficients for HAB-6FDA The uncertainties in the lattice fluid parameters of HAB-6FDA and its TR analogs were estimated using a likelihood-based statistical analysis of data 32 and are less than 5%. For comparison purposes, in Table 3 we also report the characteristic lattice fluid parameters for other fluorinated polyimides, i.e., 6FDA-ODA and 6FDA-6FpDA 29 .…”

“…Conversely, the polymer density was calculated, at each temperature, using the appropriate value of the thermal expansion coefficient 29 .…”

Vapour permeation modelling

“…For vapours, application can be found related to water vapour, dichloromethane, methyl acetate, acetone and methanol in Matrimid polyimide (Minelli et al, 2013), where data in both glassy and rubbery states were predicted with the same set of adjustable parameters, obtaining more than satisfactory agreement between the data and the model results, as can be seen in Figure 8.8. Furthermore, water vapour sorption in several polymers such as poly(lactide), poly(acrylonitrile), poly(ethylene terephthalate), poly(vinyl chloride) and poly(styrene) (Davis & Elabd, 2013;Davis et al, 2012) as well as in different polyimides (Scherillo et al, 2012) was studied applying NET-GP approach to different EOS and generally obtaining remarkable agreement between data and model results.…”

“…This approach proved to be suitable to describe and even predict solubility in glassy polymers when using lattice fluid models (nonequilibrium lattice fluid (NELF)) as well as SAFT-based models (NE-SAFT) to compute equilibrium condition thus proving its ability to extend the use of such model to the glassy domain in a consistent and straightforward manner (Doghieri, Quinzi, Rethwish, & Sarti, 2004;Giacinti Baschetti, Doghieri, & Sarti, 2001;Giacinti Baschetti, De Angelis, Doghieri, & Sarti, 2005;Scherillo et al, 2012).…”

Effect of relative humidity and temperature on the gas transport properties of 6FDA–6FpDA polyimide: Experimental study and modelling

“…The most meaningful comparison, however, is with the values measured by Scherillo et al [44] which studied water solubility in 6FDA-6FpDA at 30°C. In that work, solubility values below 22 cm 3 /cm 3 pol were found, which are lower than those measured in this paper for the same polymer and substantially overlap the data of 6FDA-CDA from ref.…”