3D morphology formation in a mixture of three differently averse components

Film formation from solvent evaporation in polymer ternary solutions is relevant for several technological applications, such as the fabrication of organic solar cells. The performance of the final device will strongly depend on the internal morphology of the obtained film, which, in turn, is affected by the processing conditions. We are interested in modeling morphology formation in 3D for ternary mixtures using both a lattice model and its continuous counterpart in the absence of evaporation. In our previous works, we found that, in 2D, both models predict the existence of two distinct regimes: (i) a low-solvent regime, characterized by two interpenetrated domains of the two polymers, and (ii) a high-solvent regime, where isolated polymer domains are dispersed in the solvent background. In the significantly more intriguing 3D case, we observe a comparable scenario both for the discrete and the continuous model. The lattice model reveals its ability to describe morphology formation even in the high solvent content 3D case, in which the three-dimensional nature of space could have prevented cluster formation.

Publication Details

Journal
ArXiv.org
Published
2025-03-17
Primary Topic
Nanomaterials and Printing Technologies
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article
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article

3D morphology formation in a mixture of three differently averse components

ArXiv.org
Nanomaterials and Printing Technologies
article

3D morphology formation in a mixture of three differently averse components

article en

Abstract

Film formation from solvent evaporation in polymer ternary solutions is relevant for several technological applications, such as the fabrication of organic solar cells. The performance of the final device will strongly depend on the internal morphology of the obtained film, which, in turn, is affected by the processing conditions. We are interested in modeling morphology formation in 3D for ternary mixtures using both a lattice model and its continuous counterpart in the absence of evaporation. In our previous works, we found that, in 2D, both models predict the existence of two distinct regimes: (i) a low-solvent regime, characterized by two interpenetrated domains of the two polymers, and (ii) a high-solvent regime, where isolated polymer domains are dispersed in the solvent background. In the significantly more intriguing 3D case, we observe a comparable scenario both for the discrete and the continuous model. The lattice model reveals its ability to describe morphology formation even in the high solvent content 3D case, in which the three-dimensional nature of space could have prevented cluster formation.

ArXiv.org
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Nanomaterials and Printing Technologies
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3D morphology formation in a mixture of three differently averse components · ArXiv.org (2025) | TGRS Research Map | TGRS