Dynamic Heterogeneities in Liquid Mixtures Confined in Nanopores

Mhanna, Ramona; Catrou, Pierre; Dutta, Sujeet; Lefort, Ronan; Essafri, Ilham; Ghoufi, Aziz; Muthmann, Matthias; Zamponi, Michaela; Frick, B.; Morineau, Denis

doi:10.1021/acs.jpcb.0c01035

Cited by 11 publications

(8 citation statements)

References 57 publications

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“…Confinement of the liquid inside nano-pores has been seen as a way to cutoff the correlation lengths and obtain indirect informations on them by studying the associated dynamical modifications in the liquid. For that fondamental reason as well as multiple practical applications, confinement has been the subject of a number of studies and is still a subject of active research [3,[28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43]. Indeed, in supercooled liquids, confinement induces various effects.…”

Section: Introductionmentioning

confidence: 99%

Activation of a supercooled liquid confined in a nanopore

Mercier,

Delhaye,

Teboul

2021

Preprint

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It is well stablished that confinement of supercooled liquids in nano-pores induces various effects as a strong modification of the dynamics and a layering of the local structure. In this work we raise the issue as how these confinement effects are modified when the liquid is out of equilibrium. To answer that question, we use molecular dynamics simulations to investigate the effect of confinement on a supercooled liquid activated by the periodic folding of a molecular motor. We find that the motor's opening angle controls the activation of the medium and use that result to study the effect of different activations on the confined supercooled liquid. We observe an increase of the activation effect on the dynamics when the medium is confined. We find that the confinement slowing down dependence with the pore radius depends on the activation of the liquid. We argue that these findings result from a modification of dynamic correlation lengths with activation. In this picture the activation permits to control the liquid correlation length and dynamics inside the pore. Studying the local structure we observe a modification of the layering organization induced by the activation. We also find that the mobility inside the pore depends on the layers, being larger where the local density is small.

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Section: Introductionmentioning

confidence: 99%

Activation of a supercooled liquid confined in a nanopore

Mercier,

Delhaye,

Teboul

2021

Preprint

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“…While they were interpreted in terms of core-shell models for confined alcohols [ 33 , 97 ], they were attributed to coexisting liquid and solid phases or high-density and low-density liquid phases for confined water [ 78 , 86 , 98 ]. In our case of binary mixtures, another possible explanation resulted from the finding that preferential interactions with the pore walls could lead to microphase separation and, thus, to bimodal dynamics [ 28 , 29 , 40 , 43 , 44 , 99 , 100 ].…”

Section: Resultsmentioning

confidence: 99%

“…Further effects occur for hydrogen-bonded binary mixtures in confinement, which are especially relevant in various fields. They exhibit particularly complex structural and dynamical behaviors because each molecule may interact with molecules of the same and of the other kind as well as with the pore walls [ 37 , 38 , 39 , 40 ]. For example, the phase behavior can be affected by such multitude of interactions [ 41 ].…”

Section: Introductionmentioning

confidence: 99%

Confinement Effects on Glass-Forming Aqueous Dimethyl Sulfoxide Solutions

et al. 2020

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Combining broadband dielectric spectroscopy and nuclear magnetic resonance studies, we analyze the reorientation dynamics and the translational diffusion associated with the glassy slowdown of the eutectic aqueous dimethyl sulfoxide solution in nano-sized confinements, explicitly, in silica pores with different diameters and in ficoll and lysozyme matrices at different concentrations. We observe that both rotational and diffusive dynamics are slower and more heterogeneous in the confinements than in the bulk but the degree of these effects depends on the properties of the confinement and differs for the components of the solution. For the hard and the soft matrices, the slowdown and the heterogeneity become more prominent when the size of the confinement is reduced. In addition, the dynamics are more retarded for dimethyl sulfoxide than for water, implying specific guest-host interactions. Moreover, we find that the temperature dependence of the reorientation dynamics and of the translational diffusion differs in severe confinements, indicating a breakdown of the Stokes–Einstein–Debye relation. It is discussed to what extent these confinement effects can be rationalized in the framework of core-shell models, which assume bulk-like and slowed-down motions in central and interfacial confinement regions, respectively.

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“…When confined inside a nanopore we expect the motor to be guided, leading to an increase of its orientation and displacement for long time scales. Confinement has also been shown to induce a number of strange effects in supercooled liquids [68][69][70][71][72][73][74][75][76][77][78][79][80][81][82][83] as a structural layering in the local density and large modifications of the dynamical properties of the liquid, mostly a slowing down and an increase of the viscosity. Confinement of active matter offers numerous applications in particular for catalysis processes.…”

Section: Introductionmentioning

confidence: 99%

Simulation of a flat folding nano-swimmer confined in a nanopore

Delhaye,

Mercier,

Teboul

2021

Preprint

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Dynamic Heterogeneities in Liquid Mixtures Confined in Nanopores

Cited by 11 publications

References 57 publications

Activation of a supercooled liquid confined in a nanopore

Activation of a supercooled liquid confined in a nanopore

Confinement Effects on Glass-Forming Aqueous Dimethyl Sulfoxide Solutions

Simulation of a flat folding nano-swimmer confined in a nanopore

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