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Updated: Jul 10, 2026

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level

Published on: September 26, 2016

Dissipative particle dynamics simulation study on the binary mixture phase separation coupled with polymerization.

Hong Liu¹, Hu-Jun Qian, Ying Zhao

¹State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China.

The Journal of Chemical Physics

|October 16, 2007

Summary

Polymerization slows phase separation in immiscible mixtures by increasing viscosity, hindering domain growth. In miscible mixtures, polymerization drives phase separation, but viscosity effects create complex behaviors.

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Area of Science:

Polymer Science
Materials Science
Computational Chemistry

Background:

Phase separation is crucial in polymer blends and mixtures.
Understanding polymerization's effect on phase behavior is key for material design.
Spinodal decomposition is a primary mechanism for phase separation.

Purpose of the Study:

Investigate polymerization's influence on phase separation in binary immiscible mixtures.
Study polymerization-induced phase separation in binary miscible mixtures.
Analyze the interplay between viscosity, thermodynamic driving force, and phase separation kinetics.

Main Methods:

Dissipative particle dynamics (DPD) simulations in two dimensions.
Monitoring domain size growth during polymerization.
Analyzing the exponent of domain growth to identify mechanisms.

Main Results:

Polymerization increases bulk viscosity, slowing spinodal decomposition in immiscible mixtures.
Domain growth in immiscible mixtures deviates from typical hydrodynamic mechanisms due to suppressed phase separation.
Polymerization-induced phase separation in miscible mixtures shows complex behavior dependent on polymerization probability and viscosity.

Conclusions:

Polymerization significantly suppresses phase separation in immiscible mixtures by increasing viscosity.
Metastable states can be trapped instead of lamellar morphology due to viscosity.
The complex phase separation in miscible mixtures arises from competing thermodynamic driving forces and viscosity-induced suppression.