Structure, phase behavior, and inhomogeneous fluid properties of binary dendrimer mixtures

The Journal of Chemical Physics
I O GötzeC N Likos

Abstract

The effective pair potentials between different kinds of dendrimers in solution can be well approximated by appropriate Gaussian functions. We find that in binary dendrimer mixtures the range and strength of the effective interactions depend strongly upon the specific dendrimer architecture. We consider two different types of dendrimer mixtures, employing the Gaussian effective pair potentials, to determine the bulk fluid structure and phase behavior. Using a simple mean field density functional theory (DFT) we find good agreement between theory and simulation results for the bulk fluid structure. Depending on the mixture, we find bulk fluid-fluid phase separation (macrophase separation) or microphase separation, i.e., a transition to a state characterized by undamped periodic concentration fluctuations. We also determine the inhomogeneous fluid structure for confinement in spherical cavities. Again, we find good agreement between the DFT and simulation results. For the dendrimer mixture exhibiting microphase separation, we observe a rather striking pattern formation under confinement.

References

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Citations

Jan 21, 2012·The Journal of Chemical Physics·K LichtnerS H L Klapp
Jul 2, 2009·The Journal of Chemical Physics·S RosenfeldtL Harnau
Jun 22, 2007·The Journal of Chemical Physics·Christos N LikosGerhard Kahl
Jul 24, 2015·The Journal of Chemical Physics·Davide PiniLuciano Reatto
Sep 17, 2016·The Journal of Chemical Physics·Jorge Adrián Perera-BurgosRamón Castañeda-Priego
Nov 13, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Alexandr Malijevský
Jun 29, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·M CartaL Reatto
Jun 29, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Dominic A LenzChristos N Likos
Sep 19, 2015·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Robert Gernert, Sabine H L Klapp
Oct 25, 2016·Soft Matter·J S Kłos, J-U Sommer
Nov 7, 2014·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·A J ArcherE Knobloch

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