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Phase Separation of Colloid Polymer Mixtures Under Confinement

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High Performance Computing in Science and Engineering ‘13

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Abstract

Colloid polymer mixtures exhibit vapor-liquid like and liquid-solid like phase transitions in bulk suspensions, and are well-suited model systems to explore confinement effects on these phase transitions. Static aspects of these phenomena are studied by large-scale Monte Carlo simulations, including novel “ensemble switch” methods to estimate excess free energies due to confining walls. The kinetics of phase separation is investigated by a Molecular Dynamics method, where hydrodynamic effects due to the solvent are included via the multiparticle collision dynamics method.

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Acknowledgements

This work was supported in part by the Deutsche Forschungsgemeinschaft (DFG) under projects TR6/A5 and SPP 1296 VI 237/4-3. We are grateful to the NIC Jülich where exploratory runs, mainly relating to static aspects, were made on the JUROPA supercomputer of the Jülich Supercomputer Centre. The simulations on the kinetics of phase separation were carried out at HERMIT (HLRS). Helpful interactions with G. Gompper, R.G. Winkler, C. Huang and G. Sutmann are acknowledged.

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Authors and Affiliations

  1. Institut für Physik, Johannes Gutenberg-Universität, 55099, Mainz, Staudinger Weg 7, Germany

    Antonia Statt, Alexander Winkler, Peter Virnau & Kurt Binder

Authors
  1. Antonia Statt
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  2. Alexander Winkler
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  3. Peter Virnau
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  4. Kurt Binder
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Corresponding author

Correspondence to Kurt Binder .

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Editors and Affiliations

  1. Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH), Technische Universität Dresden, Dresden, Germany

    Wolfgang E. Nagel

  2. Abteilung für Angewandte Mathematik, Universität Freiburg, Freiburg, Germany

    Dietmar H. Kröner

  3. Höchstleistungsrechenzentrum Stuttgart (HLRS), Universität Stuttgart, Stuttgart, Germany

    Michael M. Resch

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Statt, A., Winkler, A., Virnau, P., Binder, K. (2013). Phase Separation of Colloid Polymer Mixtures Under Confinement. In: Nagel, W., Kröner, D., Resch, M. (eds) High Performance Computing in Science and Engineering ‘13. Springer, Cham. https://doi.org/10.1007/978-3-319-02165-2_2

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