Quantum effects of hydrogen storage in ϵ and δ semicrystalline phases of syndiotactic polystyrene through adsorption

References

• Y. Tamai, Polymer 128, 177–187 (2017). doi:10.1016/j.polymer.2017.09.028
   Web of Science ®Google Scholar
• C. Liu, K. Kremer and T. Bereau, Adv. Theory Simul. 1 (7), 1800024 (2018). doi:10.1002/adts.v1.7
   Google Scholar
• Y. Tamai and M. Fukuda, J. Chem. Phys. 121 (23), 12085–12093 (2004). doi:10.1063/1.1815292
   PubMed Web of Science ®Google Scholar
• E.B. Gowd, K. Tashiro and C. Ramesh, Prog. Polym. Sci. 34 (3), 280–315 (2009). doi:10.1016/j.progpolymsci.2008.11.002
   Web of Science ®Google Scholar
• Y. Tamai, ACS. Macro. Lett. 2 (9), 834–838 (2013). doi:10.1021/mz400386z PMID: 35606990.
   PubMed Web of Science ®Google Scholar
• G. Milano, G. Guerra and F. Müller-Plathe, Chem. Mater. 14 (7), 2977–2982 (2002). doi:10.1021/cm011297i
   Web of Science ®Google Scholar
• S. Asahi and Y. Tamai, Mol. Simul. 41 (10-12), 974–979 (2015). doi:10.1080/08927022.2014.930571
   Web of Science ®Google Scholar
• Y. Tamai, J. Memb. Sci. 646, 120202 (2022). doi:10.1016/j.memsci.2021.120202
   Google Scholar
• Z.Y. Zhang, X.H. Liu and H. Li, Int. J. Hydrogen. Energy. 42 (7), 4252–4258 (2017). doi:10.1016/j.ijhydene.2016.10.077
   Web of Science ®Google Scholar
• D. Caviedes and I. Cabria, Int. J. Hydrogen. Energy. 47 (23), 11916–11928 (2022). doi:10.1016/j.ijhydene.2022.01.229
   Web of Science ®Google Scholar
• V.M. Trejos, A. Gil-Villegas and A. Martinez, J. Chem. Phys. 139 (18), 184505 (2013). doi:10.1063/1.4829769
   PubMedGoogle Scholar
• A. Helmi and Z. Vosoughi, Fluid. Phase. Equilib. 491, 24–34 (2019). doi:10.1016/j.fluid.2019.02.026
   Web of Science ®Google Scholar
• S. Figueroa-Gerstenmaier, C. Daniel, G. Milano, J.G. Vitillo, O. Zavorotynska, G. Spoto and G. Guerra, Macromolecules 43 (20), 8594–8601 (2010). doi:10.1021/ma101218q
   Web of Science ®Google Scholar
• E. Wigner, Phys. Rev. 40 (5), 749–759 (1932). doi:10.1103/PhysRev.40.749
   Google Scholar
• J.G. Kirkwood, Phys. Rev. 44 (1),31–37 (1933). doi:10.1103/PhysRev.44.31
   Google Scholar
• R.M. Stratt, J. Chem. Phys. 72 (3), 1685–1688 (1980). doi:10.1063/1.439278
   Web of Science ®Google Scholar
• Y. Rosenfeld, J. Chem. Phys. 73 (11), 5760–5765 (1980). doi:10.1063/1.440058
   Web of Science ®Google Scholar
• V.M. Trejos, M. Becerra, S. Figueroa-Gerstenmaier and A. Gil-Villegas, Mol. Phys. 112 (17), 2330–2338 (2014). doi:10.1080/00268976.2014.903591
   Web of Science ®Google Scholar
• E.D. Glandt, J. Chem. Phys. 74 (2), 1321–1325 (1981). doi:10.1063/1.441193
   Web of Science ®Google Scholar
• V.M. Trejos, A. Martínez and A. Gil-Villegas, Fluid. Phase. Equilib. 462, 153–171 (2018). doi:10.1016/j.fluid.2018.01.028
   Web of Science ®Google Scholar
• J.A. Krumhansl and S.Y. Wu, Phys. Rev. B 5 (10), 4155–4170 (1972). doi:10.1103/PhysRevB.5.4155
   Web of Science ®Google Scholar
• V. Petraccone, O. Ruiz de Ballesteros, O. Tarallo, P. Rizzo and G. Guerra, Chem. Mater. 20 (11), 3663–3668 (2008). doi:10.1021/cm800462h
   Web of Science ®Google Scholar
• Y. Chatani, Y. Shimane, T. Inagaki, T. Ijitsu, T. Yukinari and H. Shikuma, Polymer 34 (8), 1620–1624 (1993). doi:10.1016/0032-3861(93)90318-5
   Web of Science ®Google Scholar
• Lindahl, Abraham, Hess and van der Spoel 2022. doi:10.5281/zenodo.6801839
   Google Scholar
• F. Müller-Plathe, Chem. Phys. Lett. 252 (5-6), 419–424 (1996). doi:10.1016/0009-2614(96)00169-8
   Web of Science ®Google Scholar
• D.W. Calvin, I. Reed and T.M. Reed, J. Chem. Phys. 54 (9), 3733–3738 (2003). doi:10.1063/1.1675422
   Google Scholar
• C.C. Walker, J. Genzer and E.E. Santiso, J. Chem. Phys. 152 (4), 044903 (2020). doi:10.1063/1.5126213
   PubMedGoogle Scholar
• G. Bussi, D. Donadio and M. Parrinello, J. Chem. Phys. 126 (1), 014101 (2007). doi:10.1063/1.2408420
   PubMed Web of Science ®Google Scholar
• M. Bernetti and G. Bussi, J. Chem. Phys. 153 (11), 114107 (2020). doi:10.1063/5.0020514
   PubMedGoogle Scholar
• S. Brandani, E. Mangano and L. Sarkisov, Adsorption 22 (2), 261–276 (2016). doi:10.1007/s10450-016-9766-0
   PubMed Web of Science ®Google Scholar
• D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1), hardcover ed. (2001), p. 664.
   Google Scholar
• E.W. Lemmon, M.L. Huber and M.O. McLinden, NIST Standard Reference Database 23: Reference Fluid Thermodynamic and Transport Properties – REFPROP, National Institute of Standards and Technology, Standard Reference Data Program, Gaithersburg, 9th ed. 2010.
   Google Scholar
• B. Yoon and H.A. Scheraga, J. Chem. Phys. 88 (6), 3923–3933 (1988). doi:10.1063/1.453841
   Web of Science ®Google Scholar