Soft, coarse-grained modelling of self-assembling polymer ink
ORAL
Abstract
We model the experimental technique of printing nano-meter-sized polymer droplets onto a prefabricated substrate to direct and validate the efforts of our experimental collaborators. We model the interaction parameter between the polymer blocks and the surface interaction. As a result, we are able to control the microphase-separated morphology inside the droplet. In contrast to a bulk system, we have here the interaction between with the surface and the soft, spatial constraints of the droplet.
We choose a Many-body DPD representation for the polymer simulation to enable rapid access to the large parameter space of this system. The many-body aspect of this model allows the modeling of an explicit liquid-vapor interface, correct hydrodynamics, and tunable surface interactions.
Understanding this project helps applications where this technique can be used to fabricate nano-reactors with a high degree of controllability.
We choose a Many-body DPD representation for the polymer simulation to enable rapid access to the large parameter space of this system. The many-body aspect of this model allows the modeling of an explicit liquid-vapor interface, correct hydrodynamics, and tunable surface interactions.
Understanding this project helps applications where this technique can be used to fabricate nano-reactors with a high degree of controllability.
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Presenters
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Ludwig Schneider
Pritzker School of Molecular Engineering, University of Chicago, University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, PME, University of Chicago
Authors
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Ludwig Schneider
Pritzker School of Molecular Engineering, University of Chicago, University of Chicago, Pritzker School of Molecular Engineering, University of Chicago, PME, University of Chicago
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Juan De Pablo
University of Chicago, Pritzker School of Molecular Engineering, University of Chicago