Article
Licensed
Unlicensed Requires Authentication

Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids

  • ORCID logo EMAIL logo
Published/Copyright: January 20, 2023
Become an author with De Gruyter Brill
Submit Manuscript Author Information
Journal of Polymer Engineering
From the journal Journal of Polymer Engineering Volume 43 Issue 3

Abstract

In this work, a new model is developed by modifying the existing Maxwell–Wagner–Sillars (MWS) model to predict the gas separation properties of mixed matrix membranes (MMMs). The new modified MWS model, for the first time, provides the simultaneous exploration of the role of nanofillers/matrix interface voids and the exact geometrical shape of nanofillers in predicting the gas separation properties of MMMs. To unveil the crucial role of nanofillers/matrix interface voids, a mixed matrix membrane is considered a three-component system composed of the polymer matrix as the continuous component, nanofillers as the dispersed component and the interface voids between the two components. Moreover, the new model elucidates the role of the exact ellipsoidal shape of nanofillers within the membrane on the gas separation of MMMs by considering the shape factor of nanofillers. The newly developed modified MWS model is accurately able to predict the gas permeation of MMMs with a lower average absolute relative error (%AARE) of around 8% compared with the around 30% for conventional models such as the Maxwell model, Bruggeman model, Lewis–Nielsen model and Pal model and even compared with the modified Maxwell model (∼24%).

Keywords: gas separation; interface void layer; mixed matrix membrane; modeling; shape factor of nanofillers
Corresponding author: Ehsan Chehrazi, Department of Polymer Chemistry and Materials, Faculty of Chemistry and Petroleum Sciences, Shahid Beheshti University, Tehran 1983969411, Iran, E-mail:

  1. Author contributions: The author has accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The author declares that he has no conflicts of interest regarding this article.

References

1. Galizia, M., Chi, W. S., Smith, Z. P., Merkel, T. C., Baker, R. W., Freeman, B. D. 50th anniversary perspective: polymers and mixed matrix membranes for gas and vapor separation: a review and prospective opportunities. Macromolecules 2017, 50, 7809–7843; https://doi.org/10.1021/acs.macromol.7b01718.Search in Google Scholar

2. Xie, K., Fu, Q., Qiao, G. G., Webley, P. A. Recent progress on fabrication methods of polymeric thin film gas separation membranes for CO2 capture. J. Membr. Sci. 2019, 572, 38–60; https://doi.org/10.1016/j.memsci.2018.10.049.Search in Google Scholar

3. Zhu, G., Kim, C., Chandrasekarn, A., Everett, J. D., Ramprasad, R., Lively, R. P. Polymer genome–based prediction of gas permeabilities in polymers. J. Polym. Eng. 2020, 40, 451–457; https://doi.org/10.1515/polyeng-2019-0329.Search in Google Scholar

4. Natarajan, P., Sasikumar, B., Elakkiya, S., Arthanareeswaran, G., Ismail, A., Youravong, W., Yuliwati, E. Pillared cloisite 15A as an enhancement filler in polysulfone mixed matrix membranes for CO2/N2 and O2/N2 gas separation. J. Nat. Gas Sci. Eng. 2021, 86, 103720; https://doi.org/10.1016/j.jngse.2020.103720.Search in Google Scholar

5. Soniat, M., Tesfaye, M., Mafi, A., Brooks, D. J., Humphrey, N. D., Weng, L. C., Houle, F. A., Goddard, W. A., Weber, A. Z. Permeation of CO2 and N2 through glassy poly (dimethyl phenylene) oxide under steady- and presteady-state conditions. J. Polym. Sci. 2020, 58, 1207–1228; https://doi.org/10.1002/pol.20200053.Search in Google Scholar

6. Lestari, W. W., Rahman, B. F., Pratama, J. H., Handayani, D. S., Gunawan, T., Widiastuti, N., Fansuri, H. Fabrication of hybrid membranes based on poly (ether-sulfone)/materials Institute Lavoisier (MIL-53)(Al) and its enhanced CO2 gas separation performance. Chem. Pap. 2021, 75, 6519–6530; https://doi.org/10.1007/s11696-021-01816-3.Search in Google Scholar

7. Yerzhankyzy, A., Ghanem, B. S., Wang, Y., Alaslai, N., Pinnau, I. Gas separation performance and mechanical properties of thermally-rearranged polybenzoxazoles derived from an intrinsically microporous dihydroxyl-functionalized triptycene diamine-based polyimide. J. Membr. Sci. 2020, 595, 117512; https://doi.org/10.1016/j.memsci.2019.117512.Search in Google Scholar

8. Scholes, C. A. Blended perfluoropolymer membranes for carbon dioxide separation by miscible and immiscible morphologies. J. Membr. Sci. 2021, 618, 118675; https://doi.org/10.1016/j.memsci.2020.118675.Search in Google Scholar

9. Han, Y., Ho, W. W. Polymeric membranes for CO2 separation and capture. J. Membr. Sci. 2021, 628, 119244; https://doi.org/10.1016/j.memsci.2021.119244.Search in Google Scholar

10. Han, Y., Ho, W. W. Recent developments on polymeric membranes for CO2 capture from flue gas. J. Polym. Eng. 2020, 40, 529–542; https://doi.org/10.1515/polyeng-2019-0298.Search in Google Scholar

11. Freeman, B. D. Basis of permeability/selectivity tradeoff relations in polymeric gas separation membranes. Macromolecules 1999, 32, 375–380; https://doi.org/10.1021/ma9814548.Search in Google Scholar

12. Robeson, L. M. The upper bound revisited. J. Membr. Sci. 2008, 320, 390–400; https://doi.org/10.1016/j.memsci.2008.04.030.Search in Google Scholar

13. Lee, W. H., Seong, J. G., Hu, X., Lee, Y. M. Recent progress in microporous polymers from thermally rearranged polymers and polymers of intrinsic microporosity for membrane gas separation: pushing performance limits and revisiting trade-off lines. J. Polym. Sci. 2020, 58, 2450–2466; https://doi.org/10.1002/pol.20200110.Search in Google Scholar

14. Ismail, N., Ismail, A., Mustafa, A., Zulhairun, A., Nordin, N. Enhanced carbon dioxide separation by polyethersulfone (PES) mixed matrix membranes deposited with clay. J. Polym. Eng. 2016, 36, 65–78; https://doi.org/10.1515/polyeng-2015-0048.Search in Google Scholar

15. Roslan, R. A., Lau, W. J., Sakthivel, D. B., Khademi, S., Zulhairun, A. K., Goh, P. S., Ismail, A. F., Chong, K. C., Lai, S. O. Separation of CO2/CH4 and O2/N2 by polysulfone hollow fiber membranes: effects of membrane support properties and surface coating materials. J. Polym. Eng. 2018, 38, 871–880; https://doi.org/10.1515/polyeng-2017-0272.Search in Google Scholar

16. Chung, T.-S., Jiang, L. Y., Li, Y., Kulprathipanja, S. Mixed matrix membranes (MMMs) comprising organic polymers with dispersed inorganic fillers for gas separation. Prog. Polym. Sci. 2007, 32, 483–507; https://doi.org/10.1016/j.progpolymsci.2007.01.008.Search in Google Scholar

17. Yuan, Y., Qiao, Z., Xu, J., Wang, J., Zhao, S., Cao, X., Wang, Z., Guiver, M. D. Mixed matrix membranes for CO2 separations by incorporating microporous polymer framework fillers with amine-rich nanochannels. J. Membr. Sci. 2021, 620, 118923; https://doi.org/10.1016/j.memsci.2020.118923.Search in Google Scholar

18. Nematollahi, M. H., Dehaghani, A. H. S., Abedini, R. CO2/CH4 separation with poly (4-methyl-1-pentyne)(TPX) based mixed matrix membrane filled with Al2O3 nanoparticles. Kor. J. Chem. Eng. 2016, 33, 657–665; https://doi.org/10.1007/s11814-015-0168-x.Search in Google Scholar

19. Gholami, M., Mohammadi, T., Mosleh, S., Hemmati, M. CO2/CH4 separation using mixed matrix membrane-based polyurethane incorporated with ZIF-8 nanoparticles. Chem. Pap. 2017, 71, 1839–1853; https://doi.org/10.1007/s11696-017-0177-9.Search in Google Scholar

20. Shakeel, I., Hussain, A., Farrukh, S. Effect analysis of nickel ferrite (NiFe2O4) and titanium dioxide (TiO2) nanoparticles on CH4/CO2 gas permeation properties of cellulose acetate based mixed matrix membranes. J. Polym. Environ. 2019, 27, 1449–1464; https://doi.org/10.1007/s10924-019-01442-x.Search in Google Scholar

21. Wong, K. C., Goh, P. S., Ismail, A. F. Highly permeable and selective graphene oxide-enabled thin film nanocomposite for carbon dioxide separation. Int. J. Greenh. Gas Control 2017, 64, 257–266; https://doi.org/10.1016/j.ijggc.2017.08.005.Search in Google Scholar

22. Wu, Y., Jia, P., Xu, L., Chen, Z., Xiao, L., Sun, J., Zhang, J., Huang, Y., Bielawski, C. W., Geng, J. Tuning the surface properties of graphene oxide by surface-initiated polymerization of epoxides: an efficient method for enhancing gas separation. ACS Appl. Mater. Interfaces 2017, 9, 4998–5005; https://doi.org/10.1021/acsami.6b14895.Search in Google Scholar PubMed

23. Hassanajili, S., Khademi, M., Keshavarz, P. Influence of various types of silica nanoparticles on permeation properties of polyurethane/silica mixed matrix membranes. J. Membr. Sci. 2014, 453, 369–383; https://doi.org/10.1016/j.memsci.2013.10.057.Search in Google Scholar

24. Hassanajili, S., Masoudi, E., Karimi, G., Khademi, M. Mixed matrix membranes based on polyetherurethane and polyesterurethane containing silica nanoparticles for separation of CO2/CH4 gases. Separ. Purif. Technol. 2013, 116, 1–12; https://doi.org/10.1016/j.seppur.2013.05.017.Search in Google Scholar

25. Aghaei, Z., Naji, L., Asl, V. H., Khanbabaei, G., Dezhagah, F. The influence of fumed silica content and particle size in poly (amide 6-b-ethylene oxide) mixed matrix membranes for gas separation. Separ. Purif. Technol. 2018, 199, 47–56; https://doi.org/10.1016/j.seppur.2018.01.035.Search in Google Scholar

26. Shen, Y., Lua, A. C. Structural and transport properties of BTDA-TDI/MDI co-polyimide (P84)–silica nanocomposite membranes for gas separation. Chem. Eng. J. 2012, 188, 199–209; https://doi.org/10.1016/j.cej.2012.01.043.Search in Google Scholar

27. Suzuki, T., Saito, A. Preparation of polybenzoxazole–silica hybrid membranes for CO2/CH4 separation. Polym. J. 2019, 51, 1037–1044; https://doi.org/10.1038/s41428-019-0218-z.Search in Google Scholar

28. Salahshoori, I., Nasirian, D., Rashidi, N., Hossain, M. K., Hatami, A., Hassanzadeganroudsari, M. The effect of silica nanoparticles on polysulfone–polyethylene glycol (PSF/PEG) composite membrane on gas separation and rheological properties of nanocomposites. Polym. Bull. 2020, 78, 3227–3258; https://doi.org/10.1007/s00289-020-03255-8.Search in Google Scholar

29. Hu, C.-C., Cheng, P.-H., Chou, S.-C., Lai, C.-L., Huang, S.-H., Tsai, H.-A., Hung, W.-S., Lee, K.-R. Separation behavior of amorphous amino-modified silica nanoparticle/polyimide mixed matrix membranes for gas separation. J. Membr. Sci. 2020, 595, 117542; https://doi.org/10.1016/j.memsci.2019.117542.Search in Google Scholar

30. Yu, B., Cong, H., Zhao, X. Hybrid brominated sulfonated poly (2, 6-diphenyl-1, 4-phenylene oxide) and SiO2 nanocomposite membranes for CO2/N2 separation. Prog. Nat. Sci.: Mater. Int. 2012, 22, 661–667; https://doi.org/10.1016/j.pnsc.2012.11.004.Search in Google Scholar

31. Sakaguchi, N., Tanaka, M., Yamato, M., Kawakami, H. Superhigh CO2-permeable mixed matrix membranes composed of a polymer of intrinsic microporosity (PIM-1) and surface-modified silica nanoparticles. ACS Appl. Mater. Interfaces 2019, 1, 2516–2524; https://doi.org/10.1021/acsapm.9b00624.Search in Google Scholar

32. Azizi, N., Mohammadi, T., Behbahani, R. M. Comparison of permeability performance of PEBAX-1074/TiO2, PEBAX-1074/SiO2 and PEBAX-1074/Al2O3 nanocomposite membranes for CO2/CH4 separation. Chem. Eng. Res. Des. 2017, 117, 177–189; https://doi.org/10.1016/j.cherd.2016.10.018.Search in Google Scholar

33. Kim, S., Marand, E., Ida, J., Guliants, V. V. Polysulfone and mesoporous molecular sieve MCM-48 mixed matrix membranes for gas separation. Chem. Mater. 2006, 18, 1149–1155; https://doi.org/10.1021/cm052305o.Search in Google Scholar

34. Zornoza, B., Téllez, C., Coronas, J. Mixed matrix membranes comprising glassy polymers and dispersed mesoporous silica spheres for gas separation. J. Membr. Sci. 2011, 368, 100–109; https://doi.org/10.1016/j.memsci.2010.11.027.Search in Google Scholar

35. Ghalei, B., Pournaghshband Isfahani, A., Sadeghi, M., Vakili, E., Jalili, A. Polyurethane-mesoporous silica gas separation membranes. Polym. Adv. Technol. 2018, 29, 874–883; https://doi.org/10.1002/pat.4198.Search in Google Scholar

36. Zhao, D., Ren, J., Wang, Y., Qiu, Y., Li, H., Hua, K., Hua, K., Li, X., Ji, J., Deng, M. High CO2 separation performance of Pebax®/CNTs/GTA mixed matrix membranes. J. Membr. Sci. 2017, 521, 104–113; https://doi.org/10.1016/j.memsci.2016.08.061.Search in Google Scholar

37. Zhang, H., Guo, R., Hou, J., Wei, Z., Li, X. Mixed-matrix membranes containing carbon nanotubes composite with hydrogel for efficient CO2 separation. ACS Appl. Mater. Interfaces 2016, 8, 29044–29051; https://doi.org/10.1021/acsami.6b09786.Search in Google Scholar PubMed

38. Chehrazi, E., Taheri-Qazvini, N. Segmental dynamics and cooperativity length of PMMA/SAN miscible blend intercalated in organically-modified nanoclay. Langmuir 2018, 34, 14358–14367; https://doi.org/10.1021/acs.langmuir.8b03160.Search in Google Scholar PubMed

39. Qazvini, N. T., Chehrazi, E. Glass transition behavior and dynamic fragility of PMMA-SAN miscible blend-clay nanocomposites. J. Macromol. Sci., Part B: Phys. 2011, 50, 2165–2177; https://doi.org/10.1080/00222348.2011.563179.Search in Google Scholar

40. Chehrazi, E., Qazvini, N. T. Nanoconfined segmental dynamics in miscible polymer blend nanocomposites: the influence of the geometry of nanoparticles. Iran. Polym. J. (Engl. Ed.) 2013, 22, 613–622; https://doi.org/10.1007/s13726-013-0160-4.Search in Google Scholar

41. Ahn, J., Chung, W.-J., Pinnau, I., Guiver, M. D. Polysulfone/silica nanoparticle mixed-matrix membranes for gas separation. J. Membr. Sci. 2008, 314, 123–133; https://doi.org/10.1016/j.memsci.2008.01.031.Search in Google Scholar

42. Sadeghi, M., Semsarzadeh, M. A., Barikani, M., Chenar, M. P. Gas separation properties of polyether-based polyurethane–silica nanocomposite membranes. J. Membr. Sci. 2011, 376, 188–195; https://doi.org/10.1016/j.memsci.2011.04.021.Search in Google Scholar

43. Aroon, M. A., Ismail, A. F., Matsuura, T., Montazer-Rahmati, M. M. Performance studies of mixed matrix membranes for gas separation: a review. Separ. Purif. Technol. 2010, 75, 229–242; https://doi.org/10.1016/j.seppur.2010.08.023.Search in Google Scholar

44. Chehrazi, E., Raef, M., Noroozi, M., Panahi-Sarmad, M. A theoretical model for the gas permeation prediction of nanotube-mixed matrix membranes: unveiling the effect of interfacial layer. J. Membr. Sci. 2019, 570, 168–175; https://doi.org/10.1016/j.memsci.2018.10.038.Search in Google Scholar

45. Mahajan, R. Formation, characterization and modeling of mixed matrix membrane materials [PhD thesis]. Univeristy of Texas at Austin; 2000.Search in Google Scholar

46. Hashemifard, S. A., Ismail, A. F., Matsuura, T. Prediction of gas permeability in mixed matrix membranes using theoretical models. J. Membr. Sci. 2010, 347, 53–61; https://doi.org/10.1016/j.memsci.2009.10.005.Search in Google Scholar

47. Bruggeman, V. D. Berechnung verschiedener physikalischer Konstanten von heterogenen Substanzen. I. Dielektrizitätskonstanten und Leitfähigkeiten der Mischkörper aus isotropen Substanzen. Ann. Phys. 1935, 416, 636–664; https://doi.org/10.1002/andp.19354160705.Search in Google Scholar

48. Maxwell, J. C. A Treatise on Electricity and Magnetism; Clarendon Press: Oxford, 1873.Search in Google Scholar

49. Pal, R. New models for thermal conductivity of particulate composites. J. Reinforc. Plast. Compos. 2007, 26, 643–651; https://doi.org/10.1177/0731684407075569.Search in Google Scholar

50. Lewis, T. B., Nielsen, L. E. Dynamic mechanical properties of particulate-filled composites. J. Appl. Polym. Sci. 1970, 14, 1449–1471; https://doi.org/10.1002/app.1970.070140604.Search in Google Scholar

51. Vu, D. Q., Koros, W. J., Miller, S. J. Mixed matrix membranes using carbon molecular sieves: II. Modeling permeation behavior. J. Membr. Sci. 2003, 211, 335–348; https://doi.org/10.1016/s0376-7388(02)00425-8.Search in Google Scholar

52. Bouma, R., Checchetti, A., Chidichimo, G., Drioli, E. Permeation through a heterogeneous membrane: the effect of the dispersed phase. J. Membr. Sci. 1997, 128, 141–149; https://doi.org/10.1016/s0376-7388(96)00303-1.Search in Google Scholar

53. Vinh-Thang, H., Kaliaguine, S. Predictive models for mixed-matrix membrane performance: a review. Chem. Rev. 2013, 113, 4980–5028; https://doi.org/10.1021/cr3003888.Search in Google Scholar PubMed

54. Fukushima, J., Tsubaki, S., Matsuzawa, T., Kashimura, K., Mitani, T., Namioka, T., Fujii, S., Shinohara, N., Takizawa, H., Wada, Y. Effect of aspect ratio on the permittivity of graphite fiber in microwave heating. Materials 2018, 11, 169–182; https://doi.org/10.3390/ma11010169.Search in Google Scholar PubMed PubMed Central

55. Herrera-Alonso, J. M., Sedlakova, Z., Marand, E. Gas barrier properties of nanocomposites based on in situ polymerized poly (n-butyl methacrylate) in the presence of surface modified montmorillonite. J. Membr. Sci. 2010, 349, 251–257; https://doi.org/10.1016/j.memsci.2009.11.057.Search in Google Scholar

56. Chehrazi, E. Interfacial layer thickness is a key parameter in determining the gas separation properties of spherical nanoparticles-mixed matrix membranes: a modeling perspective. Comput. Mater. Sci. 2021, 210, 111032; https://doi.org/10.1016/j.commatsci.2021.111032.Search in Google Scholar

57. Chehrazi, E. Determination of the thickness of interfacial voids in a spherical nanoparticles-polymer membrane: fundamental insight from the gas permeation modeling. Chem. Eng. Res. Des. 2022, 177, 56–64; https://doi.org/10.1016/j.cherd.2021.10.024.Search in Google Scholar

Supplementary Material

This article contains supplementary material (https://doi.org/10.1515/polyeng-2022-0193).

Received: 2022-08-05
Accepted: 2022-11-24
Published Online: 2023-01-20
Published in Print: 2023-03-28

© 2023 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Material Properties
  3. Structural characterization of fillers of inorganic materials in bismaleimide resins
  4. Non-isothermal crystallization kinetics of ethylene-tetrafluoroethylene copolymer using integral Avrami equation
  5. Preparation and Assembly
  6. Polyolefin fiber, polyolefin fiber reinforced composites and their applications: a review
  7. Effect of polypyrrole surface modification on antifouling performance of PTFE microfiltration membrane
  8. Engineering and Processing
  9. Sorption of hazardous industrial organic liquids with environmentally friendly functionalized cellulosic sorbents
  10. Effect of spraying polyvinyl alcohol solution on the surface of liquid film on the structure and antifouling properties of polyvinylidene membrane
  11. Integrating stabilizer efficiency of secondary antioxidants to thermal, rheological, optical characterization and filterability study of polypropylene
  12. Icing behavior of supercooled droplets on superhydrophobic polymercoatings between lotus effect and petal effect
  13. Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids
https://doi.org/10.1515/polyeng-2022-0193
Keywords for this article
gas separation; interface void layer; mixed matrix membrane; modeling; shape factor of nanofillers

Articles in the same Issue

  1. Frontmatter
  2. Material Properties
  3. Structural characterization of fillers of inorganic materials in bismaleimide resins
  4. Non-isothermal crystallization kinetics of ethylene-tetrafluoroethylene copolymer using integral Avrami equation
  5. Preparation and Assembly
  6. Polyolefin fiber, polyolefin fiber reinforced composites and their applications: a review
  7. Effect of polypyrrole surface modification on antifouling performance of PTFE microfiltration membrane
  8. Engineering and Processing
  9. Sorption of hazardous industrial organic liquids with environmentally friendly functionalized cellulosic sorbents
  10. Effect of spraying polyvinyl alcohol solution on the surface of liquid film on the structure and antifouling properties of polyvinylidene membrane
  11. Integrating stabilizer efficiency of secondary antioxidants to thermal, rheological, optical characterization and filterability study of polypropylene
  12. Icing behavior of supercooled droplets on superhydrophobic polymercoatings between lotus effect and petal effect
  13. Theoretical models for gas separation prediction of mixed matrix membranes: effects of the shape factor of nanofillers and interface voids
Downloaded on 10.4.2026 from https://www.degruyterbrill.com/document/doi/10.1515/polyeng-2022-0193/html
Scroll to top button