Phase separation of a binary fluid containing surfactants in a Hele-Shaw cell

Roan, Jiunn-Ren; Shakhnovich, E. I.

doi:10.1103/physreve.59.2109

Cited by 29 publications

(16 citation statements)

References 36 publications

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“…Simulations were performed for N = 2, 5, and 10 at the fixed repulsion parameter a AB = 50 and for a AB = 25, 30,35,40,45,50,60, and 80 at the fixed macromonomer length N = 5. Four runs per each system were carried out starting from random initial configurations.…”

Section: Simulation Technique and Modelmentioning

confidence: 99%

Simulation of End-Coupling Reactions at a Polymer−Polymer Interface: The Mechanism of Interfacial Roughness Development

Berezkin

Kudryavtsev

2010

Macromolecules

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End-coupling between immiscible melts of two monofunctionalized polymers of a same length was modeled by dissipative particle dynamics starting from a flat interface and up to the formation of a mature lamellar microstructure. Influence of the reaction rate, chain length, and incompatibility of components on the kinetics of copolymer formation and morphology development was investigated. Regimes of linear and logarithmic growth of the conversion with time were observed before the flat interface became unstable. The conditions and mechanism of interfacial roughness development were studied in detail. It was demonstrated that overcrowding the interface with the copolymer product causing its phase separation plays the main role in spontaneous interface distortion. The instability leads to autocatalytic interface growth with exponential kinetics, when each new portion of the product creates more area for further reactions. It was followed by a slower terminal regime including formation and ripening of the lamellar microstructure. The late stage kinetics of end-coupling was strongly influenced by depletion of reactants and formation of ordered product layers. At certain conditions, it became asymptotically diffusion controlled in agreement with published experimental data.

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Section: Simulation Technique and Modelmentioning

confidence: 99%

Simulation of End-Coupling Reactions at a Polymer−Polymer Interface: The Mechanism of Interfacial Roughness Development

Berezkin

Kudryavtsev

2010

Macromolecules

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“…[7,8] This powerful method has also found broad applications in simulating phase separation dynamics in other systems with competing short-and long-range interactions. Examples include microemulsions, [9,10] binary blends containing surfactants [11] or hard particles, [12] granular materials, [13] polymer-dispersed liquid crystals [14] and crosslinked polymer blends. [15] However the focus in this Review is on the application of the CDS method to simulate microphase separation dynamics, front propagation and flow behaviour under shear in block copolymers.…”

Section: Introductionmentioning

confidence: 99%

Cell dynamics simulations of block copolymers

Hamley¹

2000

Macromol. Theory Simul.

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Cell dynamics simulations are a powerful tool to simulate kinetic processes in phase separating systems. Here we review the technique and its application to block copolymers. Its advantages and disadvantages compared to other simulation methods for block copolymer structure and dynamics are reviewed. Results on the dynamics of microphase separation and interface propagation, and on the rate of order‐order phase transitions are reviewed. The use of the method to model certain shear‐induced structural and flow effects is also summarised.

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“…Once C spreads, via hydrodynamics, across the A-B interface, the domains become frozen and cannot grow. In contrast, previous work [11] has modeled the diffusion of surfactant to the interface via a concentration field. If s AC .…”

mentioning

confidence: 96%

“…Recent work has focused on simulating hydrodynamic growth by a variety of methods including lattice-Boltzmann [9,10], time dependent Ginzburg-Landau [11,12], molecular dy-namics [13], and dissipative particle dynamics [14]. To include hydrodynamic effects, these methods typically modify the equations that describe evolution of the local concentrations due to diffusion by coupling them to the fluid velocity.…”

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confidence: 99%

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Domain Growth in Ternary Fluids: A Level Set Approach

et al. 2000

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We analyze phase separation in ternary systems in the asymptotic hydrodynamic regime when the volume fractions and concentrations are constant. The multiphase Navier-Stokes equations are solved using a level set method. A new projection method was developed to treat multiple junctions for systems with more than two phases. It is found that surface tension ratios can alter the growth mechanism of a minority phase in the presence of two majority phases. When the minority phase wets the interface of the majority phases the domain growth rate of all three phases is initially similar to that of a symmetric binary fluid but slows down at later times.

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Phase separation of a binary fluid containing surfactants in a Hele-Shaw cell

Cited by 29 publications

References 36 publications

Simulation of End-Coupling Reactions at a Polymer−Polymer Interface: The Mechanism of Interfacial Roughness Development

Simulation of End-Coupling Reactions at a Polymer−Polymer Interface: The Mechanism of Interfacial Roughness Development

Cell dynamics simulations of block copolymers

Domain Growth in Ternary Fluids: A Level Set Approach

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