Fluorine Substitution in Diamine Covalent Organic Frameworks: Computational Analysis of CO2/N2 Adsorption and Permeability
Article Sidebar
Keywords:
-
Adsorption, Computational, CO2 Capture, Permeability
Abstract
In this study, we investigated the effect of fluorine substitution on a previously reported diamine based covalent organic framework (COF), designated as IPB-2H. A new fluorinated analogue namely IPB-2F2 was modeled and its adsorption and permeability characteristics for CO2/N2 gas mixtures were evaluated through computational analysis. Ab initio structural optimization results showed that the reduced pore size of IPB-2F2 compared to IPB-2H was attributed to the larger atomic size and higher electronegativity of fluorine compared to hydrogen atom. Molecular dynamics (MD) simulations demonstrated that IPB-2F2 exhibited lower permeation rates for CO2 and N2 than its non fluorinated counterpart; indicating that fluorine atoms effectively reduced gas permeation. Adsorption isotherms revealed enhanced adsorption capacities for IPB-2F2, with increased CO2 affinity resulting from strong van der Waals interactions. Selectivity analyses showed that IPB-2F2 preferentially absorbed CO2 over N2, with selectivity values consistently greater than 1. The enhanced gas uptake capacity and hydrophobicity of IPB-2F2 highlighted its potential for industrial applications as a post-combustion CO2 capture material.
References
Amooghin, A. E., H. Sanaeepur, R. Luque, H. Garcia, and B. Chen (2022). Fluorinated Metal–Organic Frameworks for Gas Separation. Chemical Society Reviews, 51(17); 7427–7508.
Apriliyanto, Y. B., N. Darmawan, N. Faginas-Lago, and A. Lombardi (2020). Two-Dimensional Diamine-Linked Covalent Organic Frameworks for CO₂/N₂ Capture and Separation: Theoretical Modeling and Simulations. Physical Chemistry Chemical Physics, 22(44); 25918–25929.
Apriliyanto, Y. B., N. Faginas-Lago, S. Evangelisti, M. Bartolomei, T. Leininger, F. Pirani, L. Pacifici, and A. Lombardi (2022). Multilayer Graphtriyne Membranes for Separation and Storage of CO₂: Molecular Dynamics Simulations of Post-Combustion Model Mixtures. Molecules, 27(18); 5958.
Apriliyanto, Y. B., A. Lombardi, L. Mancini, F. Pirani, and N. Faginas-Lago (2024). Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard-Jones Potential. ChemPhysChem, June; e202400223.
Bartolomei, M. and G. Giorgi (2016). A Novel Nanoporous Graphite Based on Graphynes: First-Principles Structure and Carbon Dioxide Preferential Physisorption. ACS Applied Materials & Interfaces, 8(41); 27996–28003.
Boer, D. G., J. Langerak, and P. P. Pescarmona (2023). Zeolites as Selective Adsorbents for CO₂ Separation. ACS Applied Energy Materials, 6(5); 2634–2656.
Chang, X., L. Zhu, Q. Xue, X. Li, T. Guo, X. Li, and M. Ma (2018). Charge Controlled Switchable CO₂/N₂ Separation for g-C10N9 Membrane: Insights from Molecular Dynamics Simulations. Journal of CO₂ Utilization, 26; 294–301.
Chernikova, V., O. Shekhah, Y. Belmabkhout, and M. Eddaoudi (2020). Nanoporous Fluorinated Metal–Organic Framework-Based Membranes for CO₂ Capture. ACS Applied Nano Materials, 3(7); 6432–6439.
Dziejarski, B., R. Krzyzynska, and K. Andersson (2023). Current Status of Carbon Capture, Utilization, and Storage Technologies in the Global Economy: A Survey of Technical Assessment. Fuel, 342; 127776.
D’Amato, R., A. Donnadio, M. Carta, C. Sangregorio, D. Tiana, R. Vivani, M. Taddei, and F. Costantino (2019). Water-Based Synthesis and Enhanced CO₂ Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology. ACS Sustainable Chemistry & Engineering, 7(1); 394–402.
Feng, L., K.-Y. Wang, G. S. Day, M. R. Ryder, and H.-C. Zhou (2020). Destruction of Metal–Organic Frameworks: Positive and Negative Aspects of Stability and Lability. Chemical Reviews, 120(23); 13087–13133.
Feng, X., X. Ding, and D. Jiang (2012). Covalent Organic Frameworks. Chemical Society Reviews, 41(18); 6010.
Gambelli, A. M., A. Presciutti, and F. Rossi (2021). Review on the Characteristics and Advantages Related to the Use of Flue-Gas as CO₂/N₂ Mixture for Gas Hydrate Production. Fluid Phase Equilibria, 541; 113077.
Ganesan, A. and M. M. Shaijumon (2016). Activated Graphene-Derived Porous Carbon with Exceptional Gas Adsorption Properties. Microporous and Mesoporous Materials, 220; 21–27.
Ghiat, I. and T. Al-Ansari (2021). A Review of Carbon Capture and Utilisation as a CO₂ Abatement Opportunity within the EWF Nexus. Journal of CO₂ Utilization, 45; 101432.
Giannozzi, P., O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R. A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, and S. Baroni (2017). Advanced Capabilities for Materials Modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46); 465901.
Goethem, C. V., Y. Shen, H. Y. Chi, M. Mensi, K. Zhao, A. Nijmeijer, J. P., and K. V. Agrawal (2024). Advancing Molecular Sieving via Å-Scale Pore Tuning in Bottom-Up Graphene Synthesis. ACS Nano, 18(7); 5730–5740.
Hanifa, M., R. Agarwal, U. Sharma, P. C. Thapliyal, and L. P. Singh (2023). A Review on CO₂ Capture and Sequestration in the Construction Industry: Emerging Approaches and Commercialised Technologies. Journal of CO₂ Utilization, 67; 102292.
Huang, L. and G. Cao (2016). 2D Squaraine-Bridged Covalent Organic Polymers with Promising CO₂ Storage and Separation Properties. ChemistrySelect, 1(3); 533–538.
Huang, L., M. Zhang, C. Li, and G. Shi (2015). Graphene-Based Membranes for Molecular Separation. The Journal of Physical Chemistry Letters, 6(14); 2806–2815.
Kumar, S., M. A. Abdulhamid, A. D. Dinga Wonanke, M. A. Addicoat, and G. Szekely (2022). Norbornane-Based Covalent Organic Frameworks for Gas Separation. Nanoscale, 14(6); 2475–2481.
Lee, T. H., F. Moghadam, J. G. Jung, Y. J. Kim, J. S. Roh, S. Y. Yoo, B. K. Lee, J. H. Kim, I. Pinnau, and H. B. Park (2021). In Situ Derived Hybrid Carbon Molecular Sieve Membranes with Tailored Ultramicroporosity for Efficient Gas Separation. Small, 17(47).
Li, W., X. Zheng, Z. Dong, C. Li, W. Wang, Y. Yan, and J. Zhang (2016). Molecular Dynamics Simulations of CO₂/N₂ Separation Through Two-Dimensional Graphene Oxide Membranes. The Journal of Physical Chemistry C, 120(45); 26061–26066.
Liang, R., S. Jiang, R.-H. A, and X. Zhao (2020). Two-Dimensional Covalent Organic Frameworks with Hierarchical Porosity. Chemical Society Reviews, 49(12); 3920–3951.
Liu, R., K. T. Tan, Y. Gong, Y. Chen, Z. Li, S. Xie, T. He, Z. Lu, H. Yang, and D. Jiang (2021). Covalent Organic Frameworks: An Ideal Platform for Designing Ordered Materials and Advanced Applications. Chemical Society Reviews, 50(1); 120–242.
Liu, Y., L. Jiang, H. Wang, H. Wang, W. Jiao, G. Chen, P. Zhang, D. Hui, and X. Jian (2019). A Brief Review for Fluorinated Carbon: Synthesis, Properties and Applications. Nanotechnology Reviews, 8(1); 573–586.
Moghadam, P. Z., J. F. Ivy, R. K. Arvapally, A. M. dos Santos, J. C. Pearson, L. Zhang, E. Tylianakis, P. Ghosh, I. W. H. Oswald, U. Kaipa, X. Wang, A. K. Wilson, R. Q. Snurr, and M. A. Omary (2017). Adsorption and Molecular Siting of CO2, Water, and Other Gases in the Superhydrophobic, Flexible Pores of FMOF-1 from Experiment and Simulation. Chemical Science, 8(5); 3989–4000.
Neese, F., F. Wennmohs, A. Hansen, and U. Becker (2009). Efficient, Approximate and Parallel Hartree-Fock and Hybrid DFT Calculations. A ‘Chain-of-Spheres’ Algorithm for the Hartree-Fock Exchange. Chemical Physics, 356(1–3); 98–109.
Ozdemir, J., I. Mosleh, M. Abolhassani, L. F. Greenlee, R. R. Beitle, and M. H. Beyzavi (2019). Covalent Organic Frameworks for the Capture, Fixation, or Reduction of CO2. Frontiers in Energy Research, 7; 77.
Pilia, L., Y. Shuku, S. Dalgleish, K. Awaga, and N. Robertson (2018). Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes. ACS Omega, 3(8); 10074–10083.
Rafiq, M., M. Khalid, M. N. Tahir, M. U. Ahmad, M. U. Khan, M. M. Naseer, A. A. C. Braga, S. Muhammad, and Z. Shafiq (2019). Synthesis, XRD, Spectral (IR, UV-Vis, NMR) Characterization and Quantum Chemical Exploration of Benzoimidazole-Based Hydrazones: A Synergistic Experimental-Computational Analysis. Applied Organometallic Chemistry, 33(11); e5182.
Smith, W., I. T. Todorov, and M. Leslie (2005). The DL_POLY Molecular Dynamics Package. Zeitschrift Für Kristallographie - Crystalline Materials, 220(5–6); 563–566.
Tong, M., Q. Yang, Q. Ma, D. Liu, and C. Zhong (2016). Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study. Journal of Materials Chemistry A, 4(1); 124–131.
Venturi, D. M., M. S. Notari, R. Bondi, E. Mosconi, W. Kaiser, G. Mercuri, G. Giambastiani, A. Rossin, M. Taddei, and F. Costantino (2022). Increased CO2 Affinity and Adsorption Selectivity in MOF-801 Fluorinated Analogues. ACS Applied Materials & Interfaces, 14(36); 40801–40811.
Vitaku, E. and W. R. Dichtel (2017). Synthesis of 2D Imine-Linked Covalent Organic Frameworks Through Formal Transimination Reactions. Journal of the American Chemical Society, 139(37); 12911–12914.
Wang, P., W. Li, C. Du, X. Zheng, X. Sun, Y. Yan, and J. Zhang (2017). CO2/N2 Separation via Multilayer Nanoslit Graphene Oxide Membranes: Molecular Dynamics Simulation Study. Computational Materials Science, 140; 284–289.
Wang, Y., J. Li, Q. Yang, and C. Zhong (2016). Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification. ACS Applied Materials & Interfaces, 8(13); 8694–8701.
Wu, T., Q. Xue, C. Ling, M. Shan, Z. Liu, Y. Tao, and X. Li (2014). Fluorine-Modified Porous Graphene as Membrane for CO2/N2 Separation: Molecular Dynamic and First-Principles Simulations. The Journal of Physical Chemistry C, 118(14); 7369–7376.
Yan, T., Y. Lan, M. Tong, and C. Zhong (2019). Screening and Design of Covalent Organic Framework Membranes for CO2/CH4 Separation. ACS Sustainable Chemistry & Engineering, 7(1); 1220–1227.
Yoro, K. O., M. O. Daramola, P. T. Sekoai, E. K. Armah, and U. N. Wilson (2021). Advances and Emerging Techniques for Energy Recovery During Absorptive CO2 Capture: A Review of Process and Non-Process Integration-Based Strategies. Renewable and Sustainable Energy Reviews, 147; 111241.
Yu, H., S. Cho, B. Chol, K. Bok, and Y. Lee (2012). Effects of Fluorination on Carbon Molecular Sieves for CH4/CO2 Gas Separation Behavior. International Journal of Greenhouse Gas Control, 10; 278–284.
Yuan, S., L. Feng, K. Wang, J. Pang, M. Bosch, C. Lollar, Y. Sun, J. Qin, X. Yang, P. Zhang, Q. Wang, L. Zou, Y. Zhang, L. Zhang, Y. Fang, J. Li, and H. Zhou (2018). Stable Metal–Organic Frameworks: Design, Synthesis, and Applications. Advanced Materials, 30(37); 1–35.
Zhao, F., H. Liu, S. D. R. Mathe, A. Dong, and J. Zhang (2018). Covalent Organic Frameworks: From Materials Design to Biomedical Application. Nanomaterials, 8(1).
Zhao, L., P. Sang, S. Guo, X. Liu, J. Li, H. Zhu, and W. Guo (2017). Promising Monolayer Membranes for CO2/N2/CH4 Separation: Graphdiynes Modified Respectively with Hydrogen, Fluorine, and Oxygen Atoms. Applied Surface Science, 405; 455–464.
Zhao, Y., K. X. Yao, B. Teng, T. Zhang, and Y. Han (2013). A Perfluorinated Covalent Triazine-Based Framework for Highly Selective and Water-Tolerant CO2 Capture. Energy & Environmental Science, 6(12); 3684.
Apriliyanto, Y. B., N. Darmawan, N. Faginas-Lago, and A. Lombardi (2020). Two-Dimensional Diamine-Linked Covalent Organic Frameworks for CO₂/N₂ Capture and Separation: Theoretical Modeling and Simulations. Physical Chemistry Chemical Physics, 22(44); 25918–25929.
Apriliyanto, Y. B., N. Faginas-Lago, S. Evangelisti, M. Bartolomei, T. Leininger, F. Pirani, L. Pacifici, and A. Lombardi (2022). Multilayer Graphtriyne Membranes for Separation and Storage of CO₂: Molecular Dynamics Simulations of Post-Combustion Model Mixtures. Molecules, 27(18); 5958.
Apriliyanto, Y. B., A. Lombardi, L. Mancini, F. Pirani, and N. Faginas-Lago (2024). Revisiting Numerical Solutions of Weakly Bound Noble Gases’ Vibrational Energy Levels Modeled by the Improved Lennard-Jones Potential. ChemPhysChem, June; e202400223.
Bartolomei, M. and G. Giorgi (2016). A Novel Nanoporous Graphite Based on Graphynes: First-Principles Structure and Carbon Dioxide Preferential Physisorption. ACS Applied Materials & Interfaces, 8(41); 27996–28003.
Boer, D. G., J. Langerak, and P. P. Pescarmona (2023). Zeolites as Selective Adsorbents for CO₂ Separation. ACS Applied Energy Materials, 6(5); 2634–2656.
Chang, X., L. Zhu, Q. Xue, X. Li, T. Guo, X. Li, and M. Ma (2018). Charge Controlled Switchable CO₂/N₂ Separation for g-C10N9 Membrane: Insights from Molecular Dynamics Simulations. Journal of CO₂ Utilization, 26; 294–301.
Chernikova, V., O. Shekhah, Y. Belmabkhout, and M. Eddaoudi (2020). Nanoporous Fluorinated Metal–Organic Framework-Based Membranes for CO₂ Capture. ACS Applied Nano Materials, 3(7); 6432–6439.
Dziejarski, B., R. Krzyzynska, and K. Andersson (2023). Current Status of Carbon Capture, Utilization, and Storage Technologies in the Global Economy: A Survey of Technical Assessment. Fuel, 342; 127776.
D’Amato, R., A. Donnadio, M. Carta, C. Sangregorio, D. Tiana, R. Vivani, M. Taddei, and F. Costantino (2019). Water-Based Synthesis and Enhanced CO₂ Capture Performance of Perfluorinated Cerium-Based Metal–Organic Frameworks with UiO-66 and MIL-140 Topology. ACS Sustainable Chemistry & Engineering, 7(1); 394–402.
Feng, L., K.-Y. Wang, G. S. Day, M. R. Ryder, and H.-C. Zhou (2020). Destruction of Metal–Organic Frameworks: Positive and Negative Aspects of Stability and Lability. Chemical Reviews, 120(23); 13087–13133.
Feng, X., X. Ding, and D. Jiang (2012). Covalent Organic Frameworks. Chemical Society Reviews, 41(18); 6010.
Gambelli, A. M., A. Presciutti, and F. Rossi (2021). Review on the Characteristics and Advantages Related to the Use of Flue-Gas as CO₂/N₂ Mixture for Gas Hydrate Production. Fluid Phase Equilibria, 541; 113077.
Ganesan, A. and M. M. Shaijumon (2016). Activated Graphene-Derived Porous Carbon with Exceptional Gas Adsorption Properties. Microporous and Mesoporous Materials, 220; 21–27.
Ghiat, I. and T. Al-Ansari (2021). A Review of Carbon Capture and Utilisation as a CO₂ Abatement Opportunity within the EWF Nexus. Journal of CO₂ Utilization, 45; 101432.
Giannozzi, P., O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R. A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, and S. Baroni (2017). Advanced Capabilities for Materials Modelling with Quantum ESPRESSO. Journal of Physics: Condensed Matter, 29(46); 465901.
Goethem, C. V., Y. Shen, H. Y. Chi, M. Mensi, K. Zhao, A. Nijmeijer, J. P., and K. V. Agrawal (2024). Advancing Molecular Sieving via Å-Scale Pore Tuning in Bottom-Up Graphene Synthesis. ACS Nano, 18(7); 5730–5740.
Hanifa, M., R. Agarwal, U. Sharma, P. C. Thapliyal, and L. P. Singh (2023). A Review on CO₂ Capture and Sequestration in the Construction Industry: Emerging Approaches and Commercialised Technologies. Journal of CO₂ Utilization, 67; 102292.
Huang, L. and G. Cao (2016). 2D Squaraine-Bridged Covalent Organic Polymers with Promising CO₂ Storage and Separation Properties. ChemistrySelect, 1(3); 533–538.
Huang, L., M. Zhang, C. Li, and G. Shi (2015). Graphene-Based Membranes for Molecular Separation. The Journal of Physical Chemistry Letters, 6(14); 2806–2815.
Kumar, S., M. A. Abdulhamid, A. D. Dinga Wonanke, M. A. Addicoat, and G. Szekely (2022). Norbornane-Based Covalent Organic Frameworks for Gas Separation. Nanoscale, 14(6); 2475–2481.
Lee, T. H., F. Moghadam, J. G. Jung, Y. J. Kim, J. S. Roh, S. Y. Yoo, B. K. Lee, J. H. Kim, I. Pinnau, and H. B. Park (2021). In Situ Derived Hybrid Carbon Molecular Sieve Membranes with Tailored Ultramicroporosity for Efficient Gas Separation. Small, 17(47).
Li, W., X. Zheng, Z. Dong, C. Li, W. Wang, Y. Yan, and J. Zhang (2016). Molecular Dynamics Simulations of CO₂/N₂ Separation Through Two-Dimensional Graphene Oxide Membranes. The Journal of Physical Chemistry C, 120(45); 26061–26066.
Liang, R., S. Jiang, R.-H. A, and X. Zhao (2020). Two-Dimensional Covalent Organic Frameworks with Hierarchical Porosity. Chemical Society Reviews, 49(12); 3920–3951.
Liu, R., K. T. Tan, Y. Gong, Y. Chen, Z. Li, S. Xie, T. He, Z. Lu, H. Yang, and D. Jiang (2021). Covalent Organic Frameworks: An Ideal Platform for Designing Ordered Materials and Advanced Applications. Chemical Society Reviews, 50(1); 120–242.
Liu, Y., L. Jiang, H. Wang, H. Wang, W. Jiao, G. Chen, P. Zhang, D. Hui, and X. Jian (2019). A Brief Review for Fluorinated Carbon: Synthesis, Properties and Applications. Nanotechnology Reviews, 8(1); 573–586.
Moghadam, P. Z., J. F. Ivy, R. K. Arvapally, A. M. dos Santos, J. C. Pearson, L. Zhang, E. Tylianakis, P. Ghosh, I. W. H. Oswald, U. Kaipa, X. Wang, A. K. Wilson, R. Q. Snurr, and M. A. Omary (2017). Adsorption and Molecular Siting of CO2, Water, and Other Gases in the Superhydrophobic, Flexible Pores of FMOF-1 from Experiment and Simulation. Chemical Science, 8(5); 3989–4000.
Neese, F., F. Wennmohs, A. Hansen, and U. Becker (2009). Efficient, Approximate and Parallel Hartree-Fock and Hybrid DFT Calculations. A ‘Chain-of-Spheres’ Algorithm for the Hartree-Fock Exchange. Chemical Physics, 356(1–3); 98–109.
Ozdemir, J., I. Mosleh, M. Abolhassani, L. F. Greenlee, R. R. Beitle, and M. H. Beyzavi (2019). Covalent Organic Frameworks for the Capture, Fixation, or Reduction of CO2. Frontiers in Energy Research, 7; 77.
Pilia, L., Y. Shuku, S. Dalgleish, K. Awaga, and N. Robertson (2018). Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes. ACS Omega, 3(8); 10074–10083.
Rafiq, M., M. Khalid, M. N. Tahir, M. U. Ahmad, M. U. Khan, M. M. Naseer, A. A. C. Braga, S. Muhammad, and Z. Shafiq (2019). Synthesis, XRD, Spectral (IR, UV-Vis, NMR) Characterization and Quantum Chemical Exploration of Benzoimidazole-Based Hydrazones: A Synergistic Experimental-Computational Analysis. Applied Organometallic Chemistry, 33(11); e5182.
Smith, W., I. T. Todorov, and M. Leslie (2005). The DL_POLY Molecular Dynamics Package. Zeitschrift Für Kristallographie - Crystalline Materials, 220(5–6); 563–566.
Tong, M., Q. Yang, Q. Ma, D. Liu, and C. Zhong (2016). Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study. Journal of Materials Chemistry A, 4(1); 124–131.
Venturi, D. M., M. S. Notari, R. Bondi, E. Mosconi, W. Kaiser, G. Mercuri, G. Giambastiani, A. Rossin, M. Taddei, and F. Costantino (2022). Increased CO2 Affinity and Adsorption Selectivity in MOF-801 Fluorinated Analogues. ACS Applied Materials & Interfaces, 14(36); 40801–40811.
Vitaku, E. and W. R. Dichtel (2017). Synthesis of 2D Imine-Linked Covalent Organic Frameworks Through Formal Transimination Reactions. Journal of the American Chemical Society, 139(37); 12911–12914.
Wang, P., W. Li, C. Du, X. Zheng, X. Sun, Y. Yan, and J. Zhang (2017). CO2/N2 Separation via Multilayer Nanoslit Graphene Oxide Membranes: Molecular Dynamics Simulation Study. Computational Materials Science, 140; 284–289.
Wang, Y., J. Li, Q. Yang, and C. Zhong (2016). Two-Dimensional Covalent Triazine Framework Membrane for Helium Separation and Hydrogen Purification. ACS Applied Materials & Interfaces, 8(13); 8694–8701.
Wu, T., Q. Xue, C. Ling, M. Shan, Z. Liu, Y. Tao, and X. Li (2014). Fluorine-Modified Porous Graphene as Membrane for CO2/N2 Separation: Molecular Dynamic and First-Principles Simulations. The Journal of Physical Chemistry C, 118(14); 7369–7376.
Yan, T., Y. Lan, M. Tong, and C. Zhong (2019). Screening and Design of Covalent Organic Framework Membranes for CO2/CH4 Separation. ACS Sustainable Chemistry & Engineering, 7(1); 1220–1227.
Yoro, K. O., M. O. Daramola, P. T. Sekoai, E. K. Armah, and U. N. Wilson (2021). Advances and Emerging Techniques for Energy Recovery During Absorptive CO2 Capture: A Review of Process and Non-Process Integration-Based Strategies. Renewable and Sustainable Energy Reviews, 147; 111241.
Yu, H., S. Cho, B. Chol, K. Bok, and Y. Lee (2012). Effects of Fluorination on Carbon Molecular Sieves for CH4/CO2 Gas Separation Behavior. International Journal of Greenhouse Gas Control, 10; 278–284.
Yuan, S., L. Feng, K. Wang, J. Pang, M. Bosch, C. Lollar, Y. Sun, J. Qin, X. Yang, P. Zhang, Q. Wang, L. Zou, Y. Zhang, L. Zhang, Y. Fang, J. Li, and H. Zhou (2018). Stable Metal–Organic Frameworks: Design, Synthesis, and Applications. Advanced Materials, 30(37); 1–35.
Zhao, F., H. Liu, S. D. R. Mathe, A. Dong, and J. Zhang (2018). Covalent Organic Frameworks: From Materials Design to Biomedical Application. Nanomaterials, 8(1).
Zhao, L., P. Sang, S. Guo, X. Liu, J. Li, H. Zhu, and W. Guo (2017). Promising Monolayer Membranes for CO2/N2/CH4 Separation: Graphdiynes Modified Respectively with Hydrogen, Fluorine, and Oxygen Atoms. Applied Surface Science, 405; 455–464.
Zhao, Y., K. X. Yao, B. Teng, T. Zhang, and Y. Han (2013). A Perfluorinated Covalent Triazine-Based Framework for Highly Selective and Water-Tolerant CO2 Capture. Energy & Environmental Science, 6(12); 3684.
Authors
Darmawan, N., Apriliyanto, Y. B. ., Jati, A. A. C. ., & Kusumawardani, C. . (2025). Fluorine Substitution in Diamine Covalent Organic Frameworks: Computational Analysis of CO2/N2 Adsorption and Permeability. Science and Technology Indonesia, 10(1), 18–26. https://doi.org/10.26554/sti.2025.10.1.18-26
This work is licensed under a Creative Commons Attribution 4.0 International License.