Flory-Huggins Parameter

Author(s):  
Jan W. Gooch
Keyword(s):  
2014 ◽  
Vol 1033-1034 ◽  
pp. 496-500 ◽  
Author(s):  
Min Zhang ◽  
Guo Fang Zhang ◽  
Yu Xi Jia

The compatibilities of polymer blends, Polypropylene (PP) and Polyamide12(PA12) with the quantity ratio 10/90, was simulated by Molecular Dynamics (MD) and Mesoscopic Dynamic simulation (MesoDyn) simulations. Cohesive energy density (CED) and solubility parameters (δ) of pure substances and PP/PA12 blends were got by MD simulations. Flory-Huggins parameter was calculated based on CED values. The mesoscale simulation was related to the molecular simulation through Flory-Huggins parameter. Free energy density and the density profiles were got through MesoDyn simulation. Results showed that solubility parameter difference (Δδ) of PP/PA12 is 4.092 and free energy density value is 0.17 in the equivalent system. And phase separation behavior was observed in the density profiles. All these indicates that PP and PA12 is not miscible which is the same as the experiment results.


2014 ◽  
Vol 140 (5) ◽  
pp. 054909 ◽  
Author(s):  
Alexandros Chremos ◽  
Arash Nikoubashman ◽  
Athanassios Z. Panagiotopoulos

Symmetry ◽  
2021 ◽  
Vol 13 (10) ◽  
pp. 1834
Author(s):  
Mikhail A Osipov ◽  
Maxim V. Gorkunov ◽  
Alexander A. Antonov

A molecular-statistical theory of coil–rod–coil triblock copolymers with orientationally ordered rod-like fragments has been developed using the density functional approach. An explicit expression for the free energy has been obtained in terms of the direct correlation functions of the reference disordered phase, the Flory–Huggins parameter and the potential of anisotropic interaction between rigid rods. The theory has been used to derive several phase diagrams and to calculate numerically orientational and translational order parameter profiles for different polymer architecture as a function of the Flory–Huggins parameter, which specifies the short-range repulsion and as functions of temperature. In triblock copolymers, the nematic–lamellar transition is accompanied by the translational symmetry breaking, which can be caused by two different microscopic mechanisms. The first mechanism resembles a low dimensional crystallization and is typical for conventional smectic liquid crystals. The second mechanism is related to the repulsion between rod and coil segments and is typical for block copolymers. Both mechanisms are analyzed in detail as well as the effects of temperature, coil fraction and the triblock asymmetry on the transition into the lamellar phase.


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