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C. H. Park, S. Y. Nam, and Y. T. Hong, "Molecular dynamics (MD) study of proton exchange nembranes for fuel cells", Membr. J., 26, 329 (2016).
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J. M. Haile, "Molecular Dynamics Simulation", Wiley, New York (1992).
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C. H. Park, E. Tocci, S. Kim, A. Kumar, Y. M. Lee, and E. Drioli, "A simulation study on OH-containing polyimide (HPI) and thermally rearranged polybenzoxazoles (TR-PBO): Relationship between gas transport properties and free volume morphology", J. Phys. Chem. B, 118, 2746 (2014).
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C. H. Park, E. Tocci, Y. M. Lee, and E. Drioli, "Thermal treatment effect on the structure and property change between hydroxy-containing polyimides (HPIs) and thermally rearranged polybenzoxazole (TR-PBO)", J. Phys. Chem. B, 116, 12864 (2012).
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Y. Jiang, F. T. Willmore, D. Sanders, Z. P. Smith, C. P. Ribeiro, C. M. Doherty, A. Thornton, A. J. Hill, B. D. Freeman, and I. C. Sanchez, "Cavity size, sorption and transport characteristics of thermally rearranged (TR) polymers", Polymer, 52, 2244 (2011).
DOI
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6 |
P. V. Komarov, I. N. Veselov, P. P. Chu, and P. G. Khalatur, "Mesoscale simulation of polymer electrolyte membranes based on sulfonated poly(ether ether ketone) and Nafion", Soft Matter, 6, 3939 (2010).
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S. T. Kao, Y. H. Huang, K. S. Liao, W. S. Hung, K. S. Chang, M. De Guzman, S. H. Huang, D. M. Wang, K. L. Tung, K. R. Lee, and J. Y. Lai, "Applications of positron annihilation spectroscopy and molecular dynamics simulation to aromatic polyamide pervaporation membranes", J. Membr. Sci., 348, 117 (2010).
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K. S. Chang, Y. H. Huang, K. R. Lee, and K. L. Tung, "Free volume and polymeric structure analyses of aromatic polyamide membranes: A molecular simulation and experimental study", J. Membr. Sci., 354, 93 (2010).
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C. H. Park, D. J. Kim, and S. Y. Nam, "Molecular dynamics (MD) study of polymeric membranes for gas separation", Membr. J., 24, 341 (2014).
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C. H. Park and S. Y. Nam, "Mesoscale simulation of polymeric membranes for energy and environmental application", Membr. J., 27, 121 (2017).
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S. Y. Nam and D. J. Kim, "Research and development trends of polyimide based material for gas separation", Membr. J., 23, 393 (2013).
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H. Sun, "COMPASS: An ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds", J. Phys. Chem. B, 102, 7338 (1998).
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Y. H. Park and S. Y. Nam, "Characterization of polyolefin separator support membranes with hydrophilic coatings", Membr. J., 27, 92 (2017).
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C. H. Cho, S. J. Jeong, J.-g. Yeo, and M. H. Han, "A study on permeation of mixed gases through a NaY zeolite membrane under permeate evacuation mode", Membr. J., 23, 352 (2013).
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J. H. Lee and C. H. Park, "Effect of force-field types on the proton diffusivity calculation in molecular dynamics (MD) simulation", Membr. J., 27, 358 (2017).
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H. Sun, Z. Jin, C. Yang, R. L. Akkermans, S. H. Robertson, N. A. Spenley, S. Miller, and S. M. Todd, "COMPASS II: Extended coverage for polymer and drug-like molecule databases", J. Mol. Model., 22, 1 (2016).
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H. Sun, P. Ren, and J. Fried, "The COMPASS force field: Parameterization and validation for phosphazenes", Comput. Theor. Polym. Sci., 8, 229 (1998).
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C. H. Park, T.-H. Kim, D. J. Kim, and S. Y. Nam, "Molecular dynamics simulation of the functional group effect in hydrocarbon anionic exchange membranes", Int. J. Hydrogen Energy, 42, 20895 (2017).
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C. H. Park, C. H. Lee, J.-Y. Sohn, H. B. Park, M. D. Guiver, and Y. M. Lee, "Phase separation and water channel formation in sulfonated block copolyimide", J. Phys. Chem. B, 114, 12036 (2010).
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C. D. Wick and D. N. Theodorou, "Connectivity-altering nonte carlo simulations of the end group effects on volumetric properties for poly (ethylene oxide)", Macromolecules, 37, 7026 (2004).
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T. Yamaguchi, B.-G. Wang, E. Matsuda, S. Suzuki, and S.-I. Nakao, "Prediction and estimation of solvent diffusivities in polyacrylate and polymethacrylates", J. Polym. Sci., Part B: Polym. Phys., 41, 1393 (2003).
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