TY - JOUR
T1 - Experimental analysis and modeling of the molecular architecture influence on the solid-liquid transition of ethylene/1-octene copolymer solvent systems
AU - Fan, Zengxuan
AU - Zimmermann, Jana
AU - Zeiner, Tim
AU - Enders, Sabine
AU - Fischlschweiger, Michael
N1 - Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2023/5
Y1 - 2023/5
N2 - The knowledge of solid-liquid equilibria of polymer-solvent systems is particularly important for further clarifying and understanding polymer crystallization. The molecular architecture in terms of molecular weight and branching related to the semicrystallinity of the polymer plays a key role in solid-liquid equilibria in polyethylene-solvent systems. Recently, a new thermodynamic model based on the Lattice Cluster Theory and continuous thermodynamics was developed, which can capture the influence of molecular weight distribution and degree of branching on solid-liquid equilibria. The model was applied to ethylene/1-hexene copolymer-solvent systems. However, the experimental database for solid-liquid equilibria of polymer solvent systems, where comprehensive molecular information of the polymer is connected with morphological quantities, e.g., semicrystallinity, and solid-liquid phase equilibria, is scarcely available in the literature. Therefore, herein a concept for this structure-property relationship is developed for ethylene/1-octene copolymer-solvent systems. The experimentally determined structure-property relationships are then used for determining the parameters of the statistical thermodynamics model and for model validation. The thermodynamic model allows the investigation of the transition zone from branching to molecular weight-induced solid-liquid equilibrium in dependence on the polydisperse nature of ethylene/1-octene copolymers.
AB - The knowledge of solid-liquid equilibria of polymer-solvent systems is particularly important for further clarifying and understanding polymer crystallization. The molecular architecture in terms of molecular weight and branching related to the semicrystallinity of the polymer plays a key role in solid-liquid equilibria in polyethylene-solvent systems. Recently, a new thermodynamic model based on the Lattice Cluster Theory and continuous thermodynamics was developed, which can capture the influence of molecular weight distribution and degree of branching on solid-liquid equilibria. The model was applied to ethylene/1-hexene copolymer-solvent systems. However, the experimental database for solid-liquid equilibria of polymer solvent systems, where comprehensive molecular information of the polymer is connected with morphological quantities, e.g., semicrystallinity, and solid-liquid phase equilibria, is scarcely available in the literature. Therefore, herein a concept for this structure-property relationship is developed for ethylene/1-octene copolymer-solvent systems. The experimentally determined structure-property relationships are then used for determining the parameters of the statistical thermodynamics model and for model validation. The thermodynamic model allows the investigation of the transition zone from branching to molecular weight-induced solid-liquid equilibrium in dependence on the polydisperse nature of ethylene/1-octene copolymers.
KW - Continuous Thermodynamics
KW - Crystallization-based polymer fractionation
KW - Lattice cluster theory
KW - Polymers
KW - Solid-liquid Equilibrium
UR - http://www.scopus.com/inward/record.url?scp=85147415904&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2023.113757
DO - 10.1016/j.fluid.2023.113757
M3 - Article
AN - SCOPUS:85147415904
SN - 0378-3812
VL - 568
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
M1 - 113757
ER -