Study of cage effect and subdiffusion in Pickering emulsions from Molecular Dynamics simulations

Badia, M.; El-Moudny, S.; Benhamou, M.; Ossmani, Mustapha El

doi:10.1016/j.molliq.2017.05.050

Cited by 17 publications

(42 citation statements)

References 81 publications

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“…The existence of such a regime was demonstrated by computer simulations in Ref. [53], for small-times.…”

Section: Dynamic Theorymentioning

confidence: 90%

“…In a very recent work [53], a quantitative study of the subdiffusion phenomenon within PEs was achieved, using Molecular Dynamics (MD) simulations. We recall that this kind of computational method was introduced by Alder and Wainwright [96], for the investigation of the structure and dynamics of liquids.…”

Section: Study Of Cage Effect and Subdiffusionmentioning

confidence: 99%

“…For the study of the cage effect and subdiffusion within PEs, the authors of Ref. [53] have adopted the Sogami-Ise [50,51] pair-potential between the charged clothed oil-droplets (Eq. (1)), and applied MD techniques, for the computation of both MSD and VACF, from which the transport coeffi cients were extracted.…”

Section: Study Of Cage Effect and Subdiffusionmentioning

confidence: 99%

“…For the dynamics study (subdiffusion) in relation with PEs, the starting point was a proposition of a dynamic theory [53], based on a generalized Langevin equation (with memory). This integro-differential equation is solved by VACF, which is intimately related to MSD (see below).…”

Section: Study Of Cage Effect and Subdiffusionmentioning

confidence: 99%

“…For the study, the adopted pair-potential was of Sogami-Ise type [50,51], which is an alternative of the standard Derjaguin-Landau-Verwey-Overbeek (DLVO) potential [52]. Thereafter, the question [53] was addressed to investigate quantitatively the cage eff ect and the subdiff usion phenomenon within PEs.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Review on Pickering emulsions stabilized by adsorbed nanoparticles: Structure, Thermodynamics, Cage Effect and Subdiffusion

El-Moudny¹

2017

Int J Nanomater Nanotechnol Nanomed

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In this review paper, we report on some very recent fi ndings dealt with the oil-in-water Pickering emulsions, stabilized by a strong adsorption of charged solid nanoparticles on the surface of the oildroplets. Here, we are concerned with three important questions: (1) Structure and thermodynamics of these emulsions, (2) cage effect and subdiffusion phenomenon within them, and (3) spherical diffusion of anchored nanoparticles on the curved oil/water interface. For the study, the emulsions are regarded as colloidal solutions, where the clothed oil-droplets play the role of charged soft-colloids, and in addition, the adsorbed nanoparticles are assumed to be point-like. For question (1), we recall the essential steps allowing the determination of the structure-factor and the spatial-correlation function, and the thermodynamic properties, as pressure, internal energy, and thermal compressibility of these emulsions. To this end, the adopted pair-potential is that of Sogami-Ise combining repulsive and attractive forces, and use is made of the so-called Integral Equation Method. The question (2) deals with a quantitative investigation of the clothed oil-droplets dynamics (cage effect and subdiffusion), using a Generalized Langevin Equation, which is successfully tested by Molecular Dynamic Simulations. The question (3) is concerned with an exact study of the spherical diffusion of anchored nanoparticles on the surface of the dispersed oil-droplets. Finally, we precise the major role played by grafted polymers onto the spherical oil/water interface.

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“…The existence of such a regime was demonstrated by computer simulations in Ref. [53], for small-times.…”

Section: Dynamic Theorymentioning

confidence: 90%

Section: Study Of Cage Effect and Subdiffusionmentioning

confidence: 99%

Section: Study Of Cage Effect and Subdiffusionmentioning

confidence: 99%

Section: Study Of Cage Effect and Subdiffusionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Review on Pickering emulsions stabilized by adsorbed nanoparticles: Structure, Thermodynamics, Cage Effect and Subdiffusion

El-Moudny¹

2017

Int J Nanomater Nanotechnol Nanomed

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Multiphase Microreactors Based on Liquid–Liquid and Gas–Liquid Dispersions Stabilized by Colloidal Catalytic Particles

Dedovets

Leclercq

et al. 2021

Angewandte Chemie

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Pickering emulsions, foams, bubbles, and marbles are dispersions of two immiscible liquids or of a liquid and a gas stabilized by surface‐active colloidal particles. These systems can be used for engineering liquid–liquid–solid and gas–liquid–solid microreactors for multiphase reactions. They constitute original platforms for reengineering multiphase reactors towards a higher degree of sustainability. This Review provides a systematic overview on the recent progress of liquid–liquid and gas–liquid dispersions stabilized by solid particles as microreactors for engineering eco‐efficient reactions, with emphasis on biobased reagents. Physicochemical driving parameters, challenges, and strategies to (de)stabilize dispersions for product recovery/catalyst recycling are discussed. Advanced concepts such as cascade and continuous flow reactions, compartmentalization of incompatible reagents, and multiscale computational methods for accelerating particle discovery are also addressed.

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Multiphase Microreactors Based on Liquid–Liquid and Gas–Liquid Dispersions Stabilized by Colloidal Catalytic Particles

Dedovets

Leclercq

et al. 2021

Angew Chem Int Ed

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show abstract

Study of cage effect and subdiffusion in Pickering emulsions from Molecular Dynamics simulations

Cited by 17 publications

References 81 publications

Review on Pickering emulsions stabilized by adsorbed nanoparticles: Structure, Thermodynamics, Cage Effect and Subdiffusion

Review on Pickering emulsions stabilized by adsorbed nanoparticles: Structure, Thermodynamics, Cage Effect and Subdiffusion

Multiphase Microreactors Based on Liquid–Liquid and Gas–Liquid Dispersions Stabilized by Colloidal Catalytic Particles

Multiphase Microreactors Based on Liquid–Liquid and Gas–Liquid Dispersions Stabilized by Colloidal Catalytic Particles

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