A Unified Approach to Phase Equilibria in Multi-component Polymer Systems with Effective Chemical Potential

Wei-Ling Huang; Yu-Chen Zhang; Yi-Xin Liu

doi:10.1007/s10118-025-3369-8

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A Unified Approach to Phase Equilibria in Multi-component Polymer Systems with Effective Chemical Potential

RESEARCH ARTICLE | Updated：2025-06-29

- A Unified Approach to Phase Equilibria in Multi-component Polymer Systems with Effective Chemical Potential
- Chinese Journal of Polymer Science Vol. 43, Pages: 1-9(2025)
- Affiliations：
  
  State Key Laboratory of Molecule Engineering of Polymers, Department of Macromolecular Science, Fudan University, Shanghai 200433, China
- Author bio：
  
  lyx@fudan.edu.cn
- Funds：
- DOI：10.1007/s10118-025-3369-8
  CLC：
- Received：24 February 2025，
  
  Accepted：02 May 2025，
  
  Published Online：30 June 2025，
  
  Published：2025-05
- Accepted：
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Huang, W. L.; Zhang, Y. C.; Liu, Y. X. A unified approach to phase equilibria in multi-component polymer systems with effective chemical potential. Chinese J. Polym. Sci. https://doi.org/10.1007/s10118-025-3369-8

Wei-Ling Huang, Yu-Chen Zhang, Yi-Xin Liu. A Unified Approach to Phase Equilibria in Multi-component Polymer Systems with Effective Chemical Potential[J/OL]. Chinese journal of polymer science, 2025, 431-9.
Huang, W. L.; Zhang, Y. C.; Liu, Y. X. A unified approach to phase equilibria in multi-component polymer systems with effective chemical potential. Chinese J. Polym. Sci. https://doi.org/10.1007/s10118-025-3369-8 DOI：

Wei-Ling Huang, Yu-Chen Zhang, Yi-Xin Liu. A Unified Approach to Phase Equilibria in Multi-component Polymer Systems with Effective Chemical Potential[J/OL]. Chinese journal of polymer science, 2025, 431-9. DOI： 10.1007/s10118-025-3369-8.

摘要

Abstract

Multi-component polymer systems exhibit exceptional versatility and structural diversity

making them indispensable in the polymer industry as well as in advanced and high performance applications. However

constructing accurate phase diagrams for these systems remains challenging due to inhomogeneous structures arising from the introduction of block copolymer components. Here

we present a unified and model-agnostic framework for computing phase equilibria in multi-component polymeric systems based on the concept of “effective chemical potential”. This approach directly connects key thermodynamic variables in the canonical ensemble to other ensembles

unifying phase coexistence determination without requiring the reformulation of self-consistent field theory (SCFT) calculations across different ensembles. By decoupling phase equilibrium determination from specific ensemble formulations

our approach enables the reuse of existing SCFT solvers. Moreover

it provides a useful framework to develop highly efficient phase equilibrium solvers for multi-component polymer systems.

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references

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