Abstract
In this work, a thermodynamic model is developed based on continuous thermodynamics and lattice cluster theory to describe solid-liquid equilibria of polymer-solvent systems, where the polymer shows a certain molecular architecture, semi-crystallinity, and a continuous molecular weight distribution. The new thermodynamic model is validated by predicting the solid-liquid phase behavior of ethylene/1-hexene copolymer-1,2,4-trichlorobenzene mixtures for different short-chain branchings, degrees of crystallinities, and molecular weight distributions. It turned out that this thermodynamic model is capable of capturing the solid-liquid transition zone, where a manifold of solid-liquid equilibria exists, due to the continuous character of the molecular weight distribution. For the first time, the coexistence region of the solid-liquid transition of a polyethylene-solvent system is predicted based on a thermodynamic consistent model. Further model calculations show how the polydisperse nature of the polymer influences the coexistence region in a complex and nonlinear manner, especially in the low-molecular-weight regime. This gives new insights into the solid-liquid phase behavior of polydisperse polymer-solvent mixtures and provides valuable information on the field of polymer crystallization.
Originalsprache | englisch |
---|---|
Seiten (von - bis) | 957-967 |
Seitenumfang | 11 |
Fachzeitschrift | Industrial and Engineering Chemistry Research |
Jahrgang | 61 |
Ausgabenummer | 1 |
DOIs | |
Publikationsstatus | Veröffentlicht - 12 Jan. 2022 |
ASJC Scopus subject areas
- Allgemeine Chemie
- Allgemeine chemische Verfahrenstechnik
- Wirtschaftsingenieurwesen und Fertigungstechnik