Prediction of gas permeability coefficients of copolyimides by group contribution methods

Velioğlu, Sadiye; Tantekin‐Ersolmaz, Ş. Birgül

doi:10.1016/j.memsci.2015.01.012

Cited by 16 publications

(15 citation statements)

References 41 publications

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“…The dual mode sorption model parameters of CO 2 in glassy polymers were predicted by Saberi et al [47] using a group contribution technique. The group contribution approach is a method for determining the principles that regulate the link between polymer transport and thermophysical properties based on the structure of the polymer [48]. A total of 37 structural units were examined using 82 different polymers, and dual mode sorption values for CO 2 sorption were calculated for each group by the authors.…”

Section: Different Sorption Modelsmentioning

confidence: 99%

Glassy Polymers—Diffusion, Sorption, Ageing and Applications

et al. 2021

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For the past few decades, researchers have been intrigued by glassy polymers, which have applications ranging from gas separations to corrosion protection to drug delivery systems. The techniques employed to examine the sorption and diffusion of small molecules in glassy polymers are the subject of this review. Diffusion models in glassy polymers are regulated by Fickian and non-Fickian diffusion, with non-Fickian diffusion being more prevalent. The characteristics of glassy polymers are determined by sorption isotherms, and different models have been proposed in the literature to explain sorption in glassy polymers over the last few years. This review also includes the applications of glassy polymers. Despite having many applications, current researchers still have difficulty in implementing coating challenges due to issues such as physical ageing, brittleness, etc., which are briefly discussed in the review.

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Section: Different Sorption Modelsmentioning

confidence: 99%

Glassy Polymers—Diffusion, Sorption, Ageing and Applications

et al. 2021

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“…The dual mode sorption model parameters of CO2 in glassy polymers were predicted by Saberi et al [38] using a group contribution technique. The group contribution approach is a method for determining the principles that regulate the link between polymer transport and thermophysical properties based on the structure of the polymer [39]. 37 structural units were examined using 82 different polymers, and dual mode sorption values for CO2 sorption were calculated for each group by the authors.…”

Section: Sorption In Glassy Polymersmentioning

confidence: 99%

Glassy Polymers – Diffusion, Sorption, Aging, and Applications

Arya¹,

Thapliyal²,

Sharma³

et al. 2021

Preprint

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For the past few decades, researchers have been intrigued with glassy polymers, which have applications ranging from gas separations to corrosion protection to drug delivery systems. The techniques employed to examine the sorption and diffusion of small molecules in glassy polymers are the subject of this review. Diffusion models in glassy polymers are regulated by Fickian and non-Fickian diffusion, with non-Fickian diffusion being more prevalent. The characteristics of glassy polymers are determined by sorption isotherms, and different models have been proposed in the literature to explain sorption in glassy polymers during the last few years. This review also includes the applications of glassy polymer. Despite having so many applications, current researchers still have difficulty in implementing coating challenges due to issues like as physical ageing, which is briefly discussed in the review.

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“…The extensive information accumulated to date on the transport parameters of polymers with different chemical structures of the elementary unit [ 15 , 16 ], allows one to not only search for empirical relationships between the chemical structure of the elementary unit with the transport characteristics of polymers [ 7 , 8 , 13 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 ], but also to predict transport parameters from the chemical structure of the elementary unit [ 29 ]. Such predictions are possible both by the group contribution methods [ 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 ], but also by using elements of the graph theory [ 29 , 40 , 41 , 42 ] and geometrical indices [ 43 , 44 ], as well as by using neural networks [ 29 , 45 , 46 ] or computer modeling [ 29 , 47 , 48 , 49 , 50 , 51 , 52 , 53 , 54 , 55 ,…”

Section: Introductionmentioning

confidence: 99%

Structure-Property Relationship on the Example of Gas Separation Characteristics of Poly(Arylene Ether Ketone)s and Poly(Diphenylene Phtalide)

et al. 2021

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Three poly(arylene ether ketone)s (PAEKs) with propylidene (C1, C2) and phtalide (C3) fragments, and one phtalide-containing polyarylene (C4), were synthesized. Their chemical structures were confirmed via 1H NMR, 13C NMR and 19F NMR spectroscopy. The polymers have shown a high glass transition temperature (>155 °C), excellent film-forming properties, and a high free volume for this polymer type. The influence of various functional groups in the structure of PAEKs on gas transport parameters was evaluated. Expectedly, due to the higher free volume, the introduction of the hexafluoropropylidene group to PAEK resulted in a higher increase of gas permeability in comparison with the propylidene group. The substitution of the fluorine-containing group on a rigid phtalide moiety (C3) significantly increases the glass transition temperature of the polymer, while the gas permeation slightly decreases. Finally, the removal of two ether groups from the PAEK structure (C4) leads to a rigid polymer chain that is characterized by the highest free volume, gas permeability, and diffusion coefficients among the PAEKs under investigation. Also, theoretically predicted transport parameters were investigated, to further study the structure–properties relationship for the PAEKs. Methods of modified atomic (MAC) and bond (BC) contributions were applied for this purpose (estimation of gas permeation and diffusion). Gas solubility coefficients for PAEKs were forecasted by the “Short polymer chain surface based prediction” (SPCSBP) method. Both the MAC and BC techniques showed reasonable predicted parameters for three polymers, while a significant underestimation of gas transport parameters was observed for C4. The results for all three prediction methods were compared with the experimental data obtained in this work. The predicted parameters were in good agreement with the experimental data for phtalide-containing polymers (C3 and C4), while for propylidene-containing poly(arylene ether ketone)s they were overestimated, due to a possible influence of the propylidene fragment on the indices of the oligomeric chains. MAC and BC methods demonstrated a better prediction power than the SPCSBP method.

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Prediction of gas permeability coefficients of copolyimides by group contribution methods

Cited by 16 publications

References 41 publications

Glassy Polymers—Diffusion, Sorption, Ageing and Applications

Glassy Polymers—Diffusion, Sorption, Ageing and Applications

Glassy Polymers – Diffusion, Sorption, Aging, and Applications

Structure-Property Relationship on the Example of Gas Separation Characteristics of Poly(Arylene Ether Ketone)s and Poly(Diphenylene Phtalide)

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