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Thermodynamic Free Energy Behavior of Diblock Copolymer Chains Confined Between Planar Surfaces Having End-Tethered Flexible Polymer Molecules

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TLDR
In this article, a molecular model for the free energy of a confined system of diblock copolymer chains within a 2D slit with the interior surfaces having end-tethered chains is presented, based on a combined lattice and scaling theory approach.
Abstract
A molecular model for the free energy of a confined system of diblock copolymer chains within a 2D slit with the interior surfaces having end-tethered chains is presented, based on a combined lattice and scaling theory approach. The thermodynamics of a model system, based on a constrained minimization of free energy, is explored as a function of the intermolecular energy parameters for interaction between the segments of block copolymer chains, end-tethered chains, and the surfaces. The effects of chain length and the block length ratio are investigated over a wide range of values. The results obtained are qualitative in nature; however, the model can be implemented to real systems provided appropriate parameterization of the model parameters to real systems can be performed. The phase diagrams obtained here provide ways for designing thermodynamically stable systems within the physical parametric variable space.

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Molecular Dynamics Study of the Intercalation of Diblock Copolymers into Layered Silicates

TL;DR: In this paper, a simulation of the flow of a symmetric diblock copolymer from a bulk melt into a slit whose surfaces are modified by grafted surfactant chains, and whose walls are maintained at a constant pressure to permit the slit to open as polymer intercalates, is presented.
References
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Journal ArticleDOI

Prediction of energy of interaction among tethered polymer chains confined between two parallel plates

TL;DR: In this article, a mean field continuum model was used to predict the free energy of interaction between the layers of polystyrene chains grafted on two plane parallel plates, and the predicted force−distance profiles were compared with the experimental data, reported in the literature, on interaction of poly styrene chains with toluene as the solvent.
Journal ArticleDOI

Molecular Thermodynamics of Polymer Chains Confined between Planar Surfaces Bearing End-Tethered Flexible Molecules

TL;DR: In this article, a lattice-based model of the confinement of homopolymer free chains between two flat solid surfaces, each covered with end-tethered flexible chains, is developed.
Journal ArticleDOI

Polymer Nanocomposites: Molecular Dynamics Simulations of Polystyrene and Polystyrene-Polyisoprene Block Copolymer Nanocomposites

TL;DR: In this article, the interlayer structure and dynamics of polystyrene (PS) block copolymers intercalated in organically modified layered silicates were studied. And the authors found that PS is the least mobile species in the galleries with the surfactant chains been the most mobile of all.
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