• Open Access

Quantitative analysis of phase formation and growth in ternary mixtures upon evaporation of one component

Stela Andrea Muntean, Vì C. E. Kronberg, Matteo Colangeli, Adrian Muntean, Jan van Stam, Ellen Moons, and Emilio N. M. Cirillo
Phys. Rev. E 106, 025306 – Published 5 August 2022

Abstract

We perform a quantitative analysis of Monte Carlo simulation results of phase separation in ternary blends upon evaporation of one component. Specifically, we calculate the average domain size and plot it as a function of simulation time to compute the exponent of the obtained power law. We compare and discuss results obtained by two different methods, for three different models: two-dimensional (2D) binary-state model (Ising model), 2D ternary-state model with and without evaporation. For the ternary-state models, we study additionally the dependence of the domain growth on concentration, temperature and initial composition. We reproduce the expected 1/3 exponent for the Ising model, while for the ternary-state model without evaporation and for the one with evaporation we obtain lower values of the exponent. It turns out that phase separation patterns that can form in this type of systems are complex. The obtained quantitative results give valuable insights towards devising computable theoretical estimations of size effects on morphologies as they occur in the context of organic solar cells.

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  • Received 26 March 2022
  • Revised 20 June 2022
  • Accepted 10 July 2022

DOI:https://doi.org/10.1103/PhysRevE.106.025306

Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI. Funded by Bibsam.

Published by the American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & ThermodynamicsCondensed Matter, Materials & Applied Physics

Authors & Affiliations

Stela Andrea Muntean

  • Department of Engineering and Physics, Karlstad University, 65188 Karlstad, Sweden

Vì C. E. Kronberg*

  • Department of Engineering and Physics, Karlstad University, 65188 Karlstad, Sweden

Matteo Colangeli

  • Department of Information Engineering, Computer Science and Mathematics, University of L'Aquila, 67100 L'Aquila, Italy

Adrian Muntean

  • Department of Mathematics and Computer Science, Karlstad University, 65188 Karlstad, Sweden

Jan van Stam

  • Department of Engineering and Chemical Sciences, Karlstad University, 65188 Karlstad, Sweden

Ellen Moons

  • Department of Engineering and Physics, Karlstad University, 65188 Karlstad, Sweden

Emilio N. M. Cirillo

  • Department of Basic and Applied Sciences for Engineering (SBAI), Sapienza University of Rome, 00161 Rome, Italy

  • *Present address: Department of Mathematics and Computer Science, Eindhoven University of Technology, Eindhoven, 5600 MB, The Netherlands.

Article Text

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Issue

Vol. 106, Iss. 2 — August 2022

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