• Medientyp: E-Artikel
  • Titel: Phase field method for nonequilibrium dynamics of reversible self-assembly systems
  • Beteiligte: Freed, Karl F.
  • Erschienen: AIP Publishing, 2013
  • Erschienen in: The Journal of Chemical Physics
  • Sprache: Englisch
  • DOI: 10.1063/1.4822304
  • ISSN: 0021-9606; 1089-7690
  • Schlagwörter: Physical and Theoretical Chemistry ; General Physics and Astronomy
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  • Beschreibung: <jats:p>Phase field methods are extended to describe the nonequilibrium dynamics of reversible self-assembly systems, an extension that is complicated by the mutual coupling of many non-conserved order parameters into a set of highly nonlinear partial differential equations. Further complications arise because the sum of all non-conserved order parameters equals a conserved order parameter. The theory is developed for the simplest model of reversible self-assembly in which no additional constraints are imposed on the self-assembly process since the extension to treat more complex self-assembly models is straightforward. Specific calculations focus on the time evolution of the cluster size distribution for a free association system that is rapidly dropped from one ordered state to a more ordered state within the one-phase region. The dynamics proceed as expected, thereby providing validation of the theory which is also capable of treating systems with spatial inhomogeneities.</jats:p>