Prediction of carbon dioxide solubility in polymers based on a group-contribution equation of state

Group contribution lattice fluid equation of state for CO2–ionic liquid systems: An experimental and modeling study

“…[34][35][36][47][48][49] Therefore, the group binary interaction parameters (a mn ) between CO 2 and IL groups are the only required input parameters for solving the above equations, which were derived by means of correlating the experimental solubility data.…”

“…33 A complete parameter matrix of GCLF EOS for both conventional solvents and polymers has already been established. 34 Afterward, Hamedi et al 35 extended the predictive model to the solubility prediction of CO 2 -polymer binary systems. In our previous work, GCLF EOS was firstly extended to systems containing ILs.…”

Solubility, swelling degree and crystallinity of carbon dioxide–polypropylene system

“…In addition, Danner and co-workers [32][33][34][35][36] have developed the group-contribution lattice-fluid equation of state (GCLF EOS) and extended the theory to polymer-supercritical fluid systems. Both of these equations are based on lattice-fluid models, in which a mean field approximation is used to determine the number of configurations available to a system of N molecules, each occupying r sites and N 0 vacant sites (holes).…”

“…Therefore, solubility measurements of the polymer in the molten state, where the Table 2 Binary interaction parameters k 12 (k 12 = k 21 ) in S-L EOS and α 12 (α 12 = α 21 ) in GCLF EOS crystallinity can be expected to be zero, were correlated with the S-L EOS and GCLF EOS in conjunction with a temperature dependent interaction parameter, k 12 for the S-L EOS and α 12 for the GCLF EOS. The group parameters of the GCLF EOS for pure components and the mixing rules for binary mixtures given as MR2 were those of reference [36]. The objective function (OF) used to determine the temperature dependent parameters was:…”

Foaming of polypropylene with supercritical carbon dioxide: An experimental and theoretical study on a new process

“…However, the CO 2 solubility need to be accurately obtained in this activation model, which can be calculated according to many theories, such as S‐L EOS, Simha‐Somcynsky (S‐S) EOS and perturbed chain statistical associating fluid theory (PC‐SAFT) EOS . Among these models, the S‐L EOS model is most usually used to describe the P‐V‐T behavior of many polymer‐supercritical fluid systems . Therefore, in this article, S‐L EOS model was used to calculate the CO 2 solubility.…”