Group Contribution Modeling of Gas Transport in Polymeric Membranes

Prediction of gas permeability coefficients of copolyimides by group contribution methods

“…The empirical factors for 41 different structural units were determined from a permeability database of 102 polymers. At the same time period, Robeson et al [12,13] proposed a group contribution method based on solving a least squares fit of a large data base of polymers containing aromatic units in the main chain. They assumed that the permeability of copolymers followed a logarithmic relationship with the permeability of the homopolymers.…”

“…were used in these studies. For instance, Robeson et al [12,13] used volume fraction of comonomers or homopolymer comprising the copolymer in their permeability predictions of aromatic polymers, such as polycarbonates, polyarylates, polysulfones, polyimides, aromatic polyamides, poly(aryl ketones), poly(aryl ethers). Another method was proposed by Alentiev et al [14] in which the polymer structure was subdivided into a number of groups (building blocks) and predictions were based on the chemical structure of the repeat units with the groups chosen to be specific atoms and their bond configurations.…”

Fabrication and characterization of polyetherimide/polyvinyl acetate polymer blend membranes for CO2/CH4 separation

“…. where, P b , P 1 , and P 2 are the permeability coefficients of the blend and components 1 and 2 (unblended), φ 1 and φ 2 are the respective volume fractions of components 1 and 2. This relationship has been shown to predict the permeability of random copolymers as a function of composition and has been used for group contribution methodology .…”

Polymeric membrane materials: New aspects of empirical approaches to prediction of gas permeability parameters in relation to permanent gases, linear lower hydrocarbons and some toxic gases

“…These structural contributions, however, are not the same to all considered polymers. Modern methods of additive group contributions [15,16,26] show the possibilities of the polymer design for membranes, especially polyimides.…”

“…There are mainly two approaches to the prediction of gas permeability which are discussed in scientific literature: (1) the statistical treatment of published transport parameters of polymers and [10][11][12][13][14][15][16] (2) the prediction using model of ≪jumping≫ diffusion with consideration of the key properties of penetrant molecule and polymeric matrix [17][18][19][20]. In the frames of (1) the paper considers Ndimensional methods of the gas permeability estimation of polymers using of correlations "selectivity/permeability."…”