Estimation of dual mode sorption parameters for CO2 in the glassy polymers using group contribution approach
| Autor: | Masoud Saberi, Parham Rouhi, Mostafa Teimoori |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_classification
Materials science Thermodynamics Filtration and Separation Sorption 02 engineering and technology Polymer 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Biochemistry 0104 chemical sciences Membrane technology Membrane chemistry Group (periodic table) Permeability (electromagnetism) General Materials Science Physical and Theoretical Chemistry Solubility 0210 nano-technology Selectivity |
| Zdroj: | Journal of Membrane Science. 595:117481 |
| ISSN: | 0376-7388 |
| DOI: | 10.1016/j.memsci.2019.117481 |
| Popis: | The solubility of gases in glassy polymers plays a fundamental role in permeability and selectivity for membrane separation. This study correlates the sorption data of CO2 in glassy polymers to the polymer structure, using group contribution (GC) approach, to predict the dual-mode sorption (DMS) model parameters. This procedure has been utilized to determine the contributions of 37 structural units employing a wide variety of polymers of industrial interest which comprise the database. An excellent agreement between the experimental and predicted values for DMS parameters within the database is observed. Moreover, the experimental data for sorption of CO2 in six different polymers outside the database are also considered. The results show good predictability of DMS parameters of CO2 in these six glassy polymers so that the mean relative errors between the experimental and predicted values for kD, C H ' and b are 9, 9 and 18%, respectively. Hence, the results indicate that the GC methodology can be applied to predict the polymer solubility. This approach allows to incorporate the structure/solubility quantitative relationships of desired polymers to design of membrane separation processes. |
| Databáze: | OpenAIRE |
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