- AutorIn
- Kurt Binder
- Subir K. Das
- Michael E. Fisher
- Jürgen Horbach
- Jan V. Sengers
- Titel
- Interdiffusion in critical binary mixtures by molecular dynamics simulation
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:15-qucosa-193274
- Quellenangabe
- Diffusion fundamentals - 6
- Quellenangabe
- Diffusion fundamentals 6 (2007) 10, S. 1-12
- Erstveröffentlichung
- 2007
- Abstract (EN)
- A simulation study of the static and dynamic critical behavior of a symmetric binary Lennard-Jones mixture is briefly reviewed. Using a combination of semi-grand-canonical Monte Carlo (SGMC) and molecular dynamics (MD) methods near the critical temperature of liquid-liquid unmixing, the correlation length and “susceptibility” related to the critical concentration fluctuations are estimated, as well as the self- and interdiffusion coefficients. While the self-diffusion coefficient does not show a detectable critical anomaly, the interdiffusion coefficient is found to vanish when one approaches the critical temperature at fixed critical concentration. It is shown that in the corresponding Onsager coefficient both a divergent singular part and a nonsingular background term need to be taken into account. With appropriate finite-size scaling analysis (the particle numbers studied for the dynamics lie only in the range from N = 400 to 6400), the critical behavior of the interdiffusion coefficient is found to be compatible both with the theoretically predicted behavior and with corresponding experimental evidence.
- Freie Schlagwörter (DE)
- Diffusion, Transport
- Freie Schlagwörter (EN)
- diffusion, transport
- Klassifikation (DDC)
- 530
- Herausgeber (Institution)
- Johannes Gutenberg Universität
- University of Maryland
- Deutsches Zentrum für Luft- und Raumfahrt
- Universität Leipzig
- URN Qucosa
- urn:nbn:de:bsz:15-qucosa-193274
- Veröffentlichungsdatum Qucosa
- 06.01.2016
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch