scholarly journals Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends

Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1516
Author(s):  
Dongmei Liu ◽  
Kai Gong ◽  
Ye Lin ◽  
Tao Liu ◽  
Yu Liu ◽  
...  
Keyword(s):  
Interfacial Tension ◽  
Chain Length ◽  
Triblock Copolymer ◽  
Diblock Copolymers ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Interfacial Properties ◽  
Particle Dynamics ◽  
Polymeric Blends ◽  
Polymer Component

We investigated the interfacial properties of symmetric ternary An/AmBm/Bn and An/Am/2BmAm/2/Bn polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters.

scholarly journals Effects of Repulsion Parameter and Chain Length of Homopolymers on Interfacial Properties of An/Ax/2BxAx/2/Bm Blends: A DPD Simulation Study

Polymers ◽  
2021 ◽  
Vol 13 (14) ◽  
pp. 2333
Author(s):  
Dongmei Liu ◽  
Kai Gong ◽  
Ye Lin ◽  
Huifeng Bo ◽  
Tao Liu ◽  
...  
Keyword(s):  
Interfacial Tension ◽  
Chain Length ◽  
Triblock Copolymer ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Interfacial Properties ◽  
Particle Dynamics ◽  
Ternary Blends ◽  
Polymeric Blends ◽  
Dpd Simulation

We explored the effects of the repulsion parameter (aAB) and chain length (NHA or NHB) of homopolymers on the interfacial properties of An/Ax/2BxAx/2/Bm ternary polymeric blends using dissipative particle dynamics (DPD) simulations. Our simulations show that: (i) The ternary blends exhibit the significant segregation at the repulsion parameter (aAB = 40). (ii) Both the interfacial tension and the density of triblock copolymer at the center of the interface increase to a plateau with increasing the homopolymer chain length, which indicates that the triblock copolymers with shorter chain length exhibit better performance as the compatibilizers for stabilizing the blends. (iii) For the case of NHA = 4 (chain length of homopolymers An) and NHB (chain length of homopolymers Bm) ranging from 16 to 64, the blends exhibit larger interfacial widths with a weakened correlation between bead An and Bm of homopolymers, which indicates that the triblock copolymer compatibilizers (Ax/2BxAx/2) show better performance in reducing the interfacial tension. The effectiveness of triblock copolymer compatibilizers is, thus, controlled by the regulation of repulsion parameters and the homopolymer chain length. This work raises important considerations concerning the use of the triblock copolymer as compatibilizers in the immiscible homopolymer blend systems.

scholarly journals DPD Study on the Interfacial Properties of PEO/PEO-PPO-PEO/PPO Ternary Blends: Effects of Pluronic Structure and Concentration

Polymers ◽  
2021 ◽  
Vol 13 (17) ◽  
pp. 2866
Author(s):  
Dongmei Liu ◽  
Meiyuan Yang ◽  
Danping Wang ◽  
Xueying Jing ◽  
Ye Lin ◽  
...  
Keyword(s):  
Interfacial Tension ◽  
Triblock Copolymer ◽  
Dissipative Particle Dynamics ◽  
Micelle Formation ◽  
Interfacial Properties ◽  
Ternary Blends ◽  
Saturation State ◽  
Copolymer Concentration ◽  
Copolymer Structure ◽  
The Relationship

Using the method of dissipative particle dynamics (DPD) simulations, we investigated the interfacial properties of PEO/PEO-PPO-PEO/PPO ternary blends composed of the Pluronics L64(EO13PO30EO13), F68(EO76PO29EO76), F88(EO104PO39EO104), or F127(EO106PO70EO106) triblock copolymers. Our simulations show that: (i) The interfacial tensions (γ) of the ternary blends obey the relationship γF68 < γL64 < γF88 < γF127, which indicates that triblock copolymer F68 is most effective in reducing the interfacial tension, compared to L64, F88, and F127; (ii) For the blends of PEO/L64/PPO and the F64 copolymer concentration ranging from ccp = 0.2 to 0.4, the interface exhibits a saturation state, which results in the aggregation and micelle formation of F64 copolymers added to the blends, and a lowered efficiency of the L64 copolymers as a compatibilizer, thus, the interfacial tension decreases slightly; (iii) For the blends of PEO/F68/PPO, elevating the Pluronic copolymer concentration can promote Pluronic copolymer enrichment at the interfaces without forming the micelles, which reduces the interfacial tension significantly. The interfacial properties of the blends contained the PEO-PPO-PEO triblock copolymer compatibilizers are, thus, controlled by the triblock copolymer structure and the concentration. This work provides important insights into the use of the PEO-PPO-PEO triblock copolymer as compatibilizers in the PEO and PPO homopolymer blend systems.

Effect of chain segment length on crystallization behaviors of poly(l-lactide-b-ethylene glycol-b-l-lactide) triblock copolymer

2019 ◽  
Vol 28 (2) ◽  
pp. 77-88
Author(s):  
Yongji Gong ◽  
Weihua Song ◽  
Yifan Wu ◽  
Daohai Zhang ◽  
Yufei Liu ◽  
...  
Keyword(s):  
Growth Rate ◽  
Ethylene Glycol ◽  
Chain Length ◽  
Triblock Copolymer ◽  
Triblock Copolymers ◽  
Segment Length ◽  
Resonance Spectroscopy ◽  
Chain Segment ◽  
Scanning Calorimetry ◽  
Crystallization Behaviors

The poly(l-lactide-b-ethylene glycol-b-l-lactide) (PLLA-PEG-PLLA) triblock copolymers with different chain segment length are fabricated by ring-opening polymerization. The structure, molecular weight, and crystallization behaviors of the triblock copolymers are characterized by Fourier transform infrared, nuclear magnetic resonance spectroscopy, gel permeation in chromatography, X-ray diffraction, differential scanning calorimetry, and polarizing optical microscopy (POM). The results show that the increase of block length is beneficial to improve its crystallization. In addition, the triblock copolymer exhibits a double crystallization phenomenon. The POM results indicate that PEG and PLLA chains of the copolymer crystallize in their respective crystallization temperature regions. The growth rate of the PLLA spherocrystal decreases and the dendritic spherocrystals appear with increasing the PEG chain length when the PLLA chain of the copolymer is isothermal crystallized at 80°C and PLLA chain length is constant. The growth rate of the PEG spherocrystal decreases and the spherocrystal morphology changes little with increasing PLLA chain length when the PEG chain is isothermal crystallized at 25°C and the length of PEG chain remained unchanged.

The biphasic effect of ABA triblock copolymers on the self-assembly of surfactants: insight from dissipative particle dynamics

2019 ◽  
Vol 4 (4) ◽  
pp. 921-928 ◽  
Author(s):  
Jiawei Li ◽  
Junfeng Wang ◽  
Qiang Yao ◽  
Yan Zhang ◽  
Youguo Yan ◽  
...  
Keyword(s):  
Self Assembly ◽  
Triblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Biphasic Effect

ABA triblock copolymers have been demonstrated to be able to produce a biphasic effect on the self-assembly of surfactants.

Self-assembly of symmetric rod-coil diblock copolymers in cylindrical nanopore

RSC Advances ◽  
2016 ◽  
Vol 6 (102) ◽  
pp. 100559-100567 ◽  
Author(s):  
Jian-Hua Huang ◽  
Jia-Jun Wu ◽  
Xiao-Wei Huang
Keyword(s):  
Self Assembly ◽  
Diblock Copolymers ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Dissipative Particle Dynamics Simulation

Self-assembly of rod-coil (RC) symmetric diblock copolymers (DBCs) in a cylindrical nanopore is investigated by performing dissipative particle dynamics simulation.

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