Dissipative particle dynamics study on the temperature dependent interfacial tension in surfactant-oil-water mixtures

Wang, Shuyan; Yang, Shanwen; Wang, Ruichen; Tian, Ruichao; Zhang, Xiaoyu; Sun, Qiji; Liu, Huan

doi:10.1016/j.petrol.2018.05.036

Cited by 53 publications

(29 citation statements)

References 27 publications

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“…In a ternary blend with flat interfaces, one of the most important parameters is interfacial tension which can directly reflect interfacial properties. Also, the interfacial tension obtained from DPD simulation [ 35 , 36 , 37 ] is often used as a basis to compare with the theoretical treatment of Groot and Warren [ 41 ]. Likewise, we calculate the interfacial tension according to the Irving–Kirkood equation [ 48 ], which is obtained by integrating the stress difference over x ,

where P represents the pressure tensor, x is the axis normal to the interface, and y and z are the axes parallel to the interface.…”

Section: Methodsmentioning

confidence: 99%

“…In the previous study, we utilized Monte Carlo simulation to examine the effects of diblock copolymer on the interfacial properties of A n / A m B m / B n polymeric blends [ 26 , 27 ], and illustrated that the interfacial width, density distribution, and orientation of the diblock copolymer strongly depended on the diblock copolymers’ chain properties. In recent years, dissipative particle dynamics (DPD) simulations became a vital tool for studying the physicochemical properties of polymeric blends, including phase behavior, dynamics, and morphology evolution [ 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 ]. Specifically, Groot et al [ 41 ] employed DPD simulation to calculate the interfacial tension of immiscible polymer blends.…”

Section: Introductionmentioning

confidence: 99%

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

Liu

Gong

et al. 2021

Polymers

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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.

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where P represents the pressure tensor, x is the axis normal to the interface, and y and z are the axes parallel to the interface.…”

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Liu

Gong

et al. 2021

Polymers

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“…We constructed the model of this work based on our previous studies and other studies, refs. [ 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 ]. Interested readers could refer to the details in these works.…”

Section: Methodsmentioning

confidence: 99%

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

et al. 2021

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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.

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“…In a previous study, we employed the DPD method to investigate the effect of the chain length and concentration of triblock copolymer compatibilizers on the interfacial tension between two immiscible homopolymers [ 29 ]. The model of this work is constructed based on our previous work and other studies [ 8 , 9 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 ]. Herein, we briefly introduce the model; interested readers could refer to these studies for the further development of the model.…”

Section: Methodsmentioning

confidence: 99%

“…In a ternary blend with a flat interface, interfacial tension analysis can be used to detect the interface physical properties and stability of the blends. In addition, the interfacial tension results obtained from DPD simulations [ 33 , 34 , 35 ] are usually used as basic data to compare with Groot and Warren’s theoretical solutions. Here, we calculate the interfacial tension according to the Irving–Kirkwood equation [ 44 ].…”

Section: Methodsmentioning

confidence: 99%

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

Liu

Gong

et al. 2021

Polymers

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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.

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Dissipative particle dynamics study on the temperature dependent interfacial tension in surfactant-oil-water mixtures

Cited by 53 publications

References 27 publications

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

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

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

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

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