Structural heterogeneity effects on microgel deswelling and interfacial properties: An extensive computational study

Song, Xianyu; Wang, Sijia; Duan, Xianli; Liu, Hongchao; Chen, Suhang; Long, Ting; Xu, Xiaofei; Tang, Jianting; Li, Tingzhen; Zhao, Shuangliang; Liu, Honglai

doi:10.1016/j.apsusc.2022.154639

Cited by 6 publications

(3 citation statements)

References 75 publications

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“…Thermoresponsive amphiphiles are one of the most studied systems that give rise to interesting morphology transitions, since they exhibit drastic transitions in solubility at either an upper critical solution temperature (UCST) or a lower critical solution temperature (LCST). [134][135][136][137][138][139] Molecules that demonstrate UCST behaviors dissolve in solution when the temperature is above the UCST, whereas molecules with LCST tend to mix with solvent when the temperature is below the LCST. The main advantage of using temperature is the ease of control, and therefore it is relatively easy to perform cycling changes compared to some of the other global variables.…”

Section: Applying Global Changes To Induce Shape Transitionmentioning

confidence: 99%

Simulations of morphology control of self‐assembled amphiphilic surfactants

Zhu

Tree

2023

Journal of Polymer Science

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One of the grand challenges of amphiphilic self‐assembly is the design of ordered structures whose morphology or shape can be explicitly and dynamically controlled by adjusting the properties of the amphiphiles or their surroundings. Such a capacity would enable researchers to create synthetic systems with functionality that meets or exceeds biological cells, and provide a robust platform for a broad range of engineering applications such as artificial tissues, drug delivery, and separation membranes. Despite significant progress, important fundamental questions remain unanswered, due in part to the limited resolution and the restricted parameter spaces that are readily accessible in experiments. Computational studies thus provide an important complement to experiments, enabling in‐depth insight into underlying mechanisms and an exploration of the parameter spaces for behavior that has not yet been achieved in experiments. In this review, we briefly introduce fundamental concepts and pertinent experiments related to dynamic shape modulation in self‐assembled amphiphiles. Then, in the bulk of the review, we survey the most influential simulation studies that investigate and identify approaches to control the self‐assembled shape of amphiphiles, with an emphasis on kinetic and mechanical effects. Finally, we conclude with a perspective on future research directions in this exciting field.

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Section: Applying Global Changes To Induce Shape Transitionmentioning

confidence: 99%

Simulations of morphology control of self‐assembled amphiphilic surfactants

Zhu

Tree

2023

Journal of Polymer Science

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“…For instance, Song et al demonstrated that spatial heterogeneity and changes in the swelling state not only alter the swelling modes but also have a significant impact on interfacial properties. 24 With the deepening of simulation studies, the influence of temperature on the microscopical properties of the polymer matrix has also been investigated. [25][26][27] However, simulation studies on temperature-responsive slow release mechanisms of PUbased microcapsules are sparse, and further research on this topic is of importance to the application of PU-based microcapsules in EOR.…”

Section: Introductionmentioning

confidence: 99%

Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery

Wang,

Liu,

et al. 2024

Mol. Syst. Des. Eng.

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“…A key factor in understanding the macroscopic properties of the emulsions lies in understanding the processes occurring at microscale. Along with experimental methods, computer simulations could provide notable insight into the behavior of biphasic microgel-based systems. ,− For instance, it has been shown that amphiphilic microgels spread at the liquid interface, and depending on the nature of the interactions between monomer units, Janus-shaped, blob-shaped, and nanosegregated structures could be formed . Moreover, these structures could be tuned by the solvent quality.…”

Section: Introductionmentioning

confidence: 99%

Peculiarities of Emulsions Stabilized by Stimuli-Responsive Interpenetrating Polymeric Network Microgels

Komarova,

Gumerov,

Rudyak

et al. 2024

Langmuir

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Emulsions have become a crucial product form in various industries in modern times. Expanding the class of substances used to stabilize emulsions can improve their stability or introduce new properties. Particularly, the use of stimuli-responsive microgels makes it possible to create "smart" emulsions whose stability can be controlled by changing any of the specified stimuli. Thus, finding new ways to stabilize emulsions may broaden their application. In this work, for the first time, we applied microgels based on interpenetrating polymeric networks (IPNs) of poly(N-isopropylacrylamide) (PNIPAM) and poly(acrylic acid) (PAA) as stabilizing agents for "oil-inwater" emulsions. We have demonstrated that emulsions stabilized by such soft particles can remain colloidally stable for an extended period, even after being heated up to 40 °C, which is above the lower critical solution temperature (LCST) of PNIPAM. On the contrary, the emulsions stabilized by PNIPAM homopolymer microgels were broken upon heating. To understand the stabilization mechanism of the emulsions, mesoscopic computer simulations were performed to study the IPN microgels at the liquid−liquid interface. The simulations demonstrated that when the first subnetwork (PNIPAM) collapses, the particle adopts a flattened core−shell morphology with a highly swollen PAA-rich shell and a collapsed PNIPAM-rich core. Unlike its PNIPAM homopolymer counterpart, the IPN microgel maintains its three-dimensional shape, which provides stability to the microgel-based emulsions over a wide range of temperatures. Our combined findings could be useful in developing new approaches to emulsions' storage, biphasic catalysis, and lubrication of mechanisms in various operating and climatic conditions.

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Structural heterogeneity effects on microgel deswelling and interfacial properties: An extensive computational study

Cited by 6 publications

References 75 publications

Simulations of morphology control of self‐assembled amphiphilic surfactants

Simulations of morphology control of self‐assembled amphiphilic surfactants

Designing polyurethane-based microcapsules with tailored swelling behaviours for enhanced oil recovery

Peculiarities of Emulsions Stabilized by Stimuli-Responsive Interpenetrating Polymeric Network Microgels

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