| Publikationstyp: | Beitrag in wissenschaftlicher Zeitschrift |
| Art der Begutachtung: | Peer review (Publikation) |
| Titel: | Coupled ion and network dynamics in polymer electrolytes : Monte Carlo study of a lattice model |
| Autor/-in: | Dürr, Oliver Dieterich, W. Nitzan, A. |
| DOI: | 10.1063/1.1825371 |
| Erschienen in: | The Journal of Chemical Physics |
| Band(Heft): | 121 |
| Heft: | 24 |
| Erscheinungsdatum: | 2004 |
| Verlag / Hrsg. Institution: | American Institute of Physics |
| ISSN: | 0021-9606 1089-7690 |
| Sprache: | Englisch |
| Fachgebiet (DDC): | 540: Chemie |
| Zusammenfassung: | Monte Carlo simulations are used to study ion and polymer chain dynamic properties in a simplified lattice model with only one species of mobile ions. The ions interact attractively with specific beads in the host chains, while polymer beads repel each other. Cross linking of chains by the ions reduces chain mobilities which in turn suppresses ionic diffusion. Diffusion constants for ions and chains as a function of temperature follow the Vogel-Tammann-Fulcher (VTF) law with a common VTF temperature at low ion concentration, but both decouple at higher concentrations, in agreement with experimental observations. Our model allows us to introduce pressure as an independent variable through calculations of the equation of state using the quasichemical approximation, and to detect an exponential pressure dependence of the ionic diffusion. |
| URI: | https://digitalcollection.zhaw.ch/handle/11475/13896 |
| Volltext Version: | Publizierte Version |
| Lizenz (gemäss Verlagsvertrag): | Lizenz gemäss Verlagsvertrag |
| Departement: | School of Engineering |
| Organisationseinheit: | Institut für Datenanalyse und Prozessdesign (IDP) |
| Enthalten in den Sammlungen: | Publikationen School of Engineering |
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Dürr, O., Dieterich, W., & Nitzan, A. (2004). Coupled ion and network dynamics in polymer electrolytes : Monte Carlo study of a lattice model. The Journal of Chemical Physics, 121(24). https://doi.org/10.1063/1.1825371
Dürr, O., Dieterich, W. and Nitzan, A. (2004) ‘Coupled ion and network dynamics in polymer electrolytes : Monte Carlo study of a lattice model’, The Journal of Chemical Physics, 121(24). Available at: https://doi.org/10.1063/1.1825371.
O. Dürr, W. Dieterich, and A. Nitzan, “Coupled ion and network dynamics in polymer electrolytes : Monte Carlo study of a lattice model,” The Journal of Chemical Physics, vol. 121, no. 24, 2004, doi: 10.1063/1.1825371.
DÜRR, Oliver, W. DIETERICH und A. NITZAN, 2004. Coupled ion and network dynamics in polymer electrolytes : Monte Carlo study of a lattice model. The Journal of Chemical Physics. 2004. Bd. 121, Nr. 24. DOI 10.1063/1.1825371
Dürr, Oliver, W. Dieterich, and A. Nitzan. 2004. “Coupled Ion and Network Dynamics in Polymer Electrolytes : Monte Carlo Study of a Lattice Model.” The Journal of Chemical Physics 121 (24). https://doi.org/10.1063/1.1825371.
Dürr, Oliver, et al. “Coupled Ion and Network Dynamics in Polymer Electrolytes : Monte Carlo Study of a Lattice Model.” The Journal of Chemical Physics, vol. 121, no. 24, 2004, https://doi.org/10.1063/1.1825371.
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