Phase equilibrium of colloidal suspensions with particle size dispersity: A Monte Carlo study

Yiannourakou, Marianna; Economou, Ioannis G.; Bitsanis, Ioannis A.

doi:10.1063/1.3131691

Cited by 12 publications

(19 citation statements)

References 56 publications

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“…30 In semigrand ensemble simulations a terminal polydispersity was reported for a soft-sphere system, which in the crystalline phase increased with increasing potential softness. 31 In recent simulation work a terminal polydispersity as well as reentrant melting were found for HSY systems with quenched size polydispersity using free energy calculations. 32 A common feature in the above-mentioned theoretical and computational studies is that the polydispersity in the coexisting phases was kept constant.…”

Section: Introductionmentioning

confidence: 99%

Effect of size polydispersity on the crystal-fluid and crystal-glass transition in hard-core repulsive Yukawa systems

Linden¹,

Blaaderen²,

Dijkstra³

2013

The Journal of Chemical Physics

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We investigated the effect of size polydispersity on the crystal-fluid transition in hard-core repulsive Yukawa systems by means of Monte Carlo simulations for several state points in the Yukawa parameter space. Size polydispersity was introduced in the system only with respect to the hard particle cores; particles with different diameters had the same surface potential ψ 0 , but the charge per particle was not varied with packing fraction or distance. We observed a shift to higher packing fraction of the crystal-fluid transition of bulk crystals with a fixed log-normal size distribution upon increasing the polydispersity, which was more pronounced for weakly charged particles (ψ 0 ≈ 23 mV) compared to more highly charged particles (ψ 0 ≈ 46 mV), and also more pronounced for larger Debye screening length. At high polydispersities (≥0.13) parts of the more highly charged systems that were initially crystalline became amorphous. The amorphous parts had a higher polydispersity than the crystalline parts, indicating the presence of a terminal polydispersity beyond which the homogeneous crystal phase was no longer stable.

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Section: Introductionmentioning

confidence: 99%

Effect of size polydispersity on the crystal-fluid and crystal-glass transition in hard-core repulsive Yukawa systems

Linden¹,

Blaaderen²,

Dijkstra³

2013

The Journal of Chemical Physics

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“…(31) will not capture the experimentally relevant phase behavior encountered when fixing the composition of the parent distribution or of one of the phases (e.g., in generating cloud or shadow curves). The limitations of the approach adopted here are well known, [70][71][72][73] and while alternative methods to simulate polydisperse behavior exists, [72][73][74][75][76] these typically require iterative schemes that are not readily cast into the FENEX approach.…”

Section: Size Polydisperse Mixture Of Hard Cubesmentioning

confidence: 99%

“…66,67,70,71,[74][75][76] To the best of our knowledge, only one previous study has considered size-polydisperse cubes; 63 in that study, however, only the case of quenched polydispersity was considered wherein a single-phase scenario was enforced and the polydispersity was discretized and fixed (i.e., particles in the system kept their originally prescribed size) in an isobaric-isothermal ensemble. In contrast, we consider here order-disorder, two-phase states for a system with continuous polydispersity wherein particles sample different sizes constantly over a continuous range of values (SGNPT ensemble).…”

Section: B Size Polydisperse Mixture Of Hard Cubesmentioning

confidence: 99%

Mapping coexistence lines via free-energy extrapolation: Application to order-disorder phase transitions of hard-core mixtures

Escobedo

2014

The Journal of Chemical Physics

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In this work, a variant of the Gibbs-Duhem integration (GDI) method is proposed to trace phase coexistence lines that combines some of the advantages of the original GDI methods such as robustness in handling large system sizes, with the ability of histogram-based methods (but without using histograms) to estimate free-energies and hence avoid the need of on-the-fly corrector schemes. This is done by fitting to an appropriate polynomial function not the coexistence curve itself (as in GDI schemes) but the underlying free-energy function of each phase. The availability of a free-energy model allows the post-processing of the simulated data to obtain improved estimates of the coexistence line. The proposed method is used to elucidate the phase behavior for two non-trivial hard-core mixtures: a binary blend of spheres and cubes and a system of size-polydisperse cubes. The relative size of the spheres and cubes in the first mixture is chosen such that the resulting eutectic pressure-composition phase diagram is nearly symmetric in that the maximum solubility of cubes in the sphere-rich solid (∼20%) is comparable to the maximum solubility of spheres in the cube-rich solid. In the polydisperse cube system, the solid-liquid coexistence line is mapped out for an imposed Gaussian activity distribution, which produces near-Gaussian particle-size distributions in each phase. A terminal polydispersity of 11.3% is found, beyond which the cubic solid phase would not be stable, and near which significant size fractionation between the solid and isotropic phases is predicted.

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“…Dispersity of the inorganic nano-particle is important problem [4,5,6]. Sericite is a layered silicate structure and has the perfect cleavage, flexibility, elasticity, low thermal conductivity, infusibility and high dielectric strength, it has been widely used in industry [7,8].…”

Section: Introductionmentioning

confidence: 99%

Research of the Dispersity of the Functional Sericite/Methylphenyl- Silicone Resin

Jiang

Zhu²,

Huang³

2015

PLoS ONE

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In order to improve the homogeneity and dispersity of the sericite in methylphenyl-silicone resin, the agglomerate state of the sericites was controlled effectively. The dispersive model of the sericite in methylphenyl-silicone resin was designed also. First, the modified sericite was prepared using hexadecyl trimethyl ammonium bromide as the intercalating agent. Then, functional sericite was incorporated into methylphenyl-silicone by terminal hydroxyl. The structure and dispersive performance of the hybrid polymers was charactered by analytical instruments. Scanning electron microscopy and Transmission electron microscope, Laser scanning confocal microscope and X-ray diffraction analysis showed that functional sericite was dispersed homogeneously in methylphenyl-silicone resin matrix. X-ray photoelectron spectroscopy analysis showed that the absorption peaks of the Si-OH band of methylphenyl-silicone resin were decreased and the Si-O-Si band was increased. This change evidently showed a significant role to enhance the reaction degree of the functional sericite in methylphenyl-silicone resin.

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Phase equilibrium of colloidal suspensions with particle size dispersity: A Monte Carlo study

Cited by 12 publications

References 56 publications

Effect of size polydispersity on the crystal-fluid and crystal-glass transition in hard-core repulsive Yukawa systems

Effect of size polydispersity on the crystal-fluid and crystal-glass transition in hard-core repulsive Yukawa systems

Mapping coexistence lines via free-energy extrapolation: Application to order-disorder phase transitions of hard-core mixtures

Research of the Dispersity of the Functional Sericite/Methylphenyl- Silicone Resin

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