Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus–Yevick theory

Frenkel, Daan; Vos, R.J.; Kruif, C. G. de; Vrij, A.

doi:10.1063/1.449987

Cited by 135 publications

(99 citation statements)

References 16 publications

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“…At neutral pH, where the casein micelles are known to behave like hard spheres, we can quantitatively estimate the effect of S(0) using the corresponding polydisperse hard sphere model employing liquid state theory and the commonly used Percus-Yevick closure relation. 32, 33 Details about the calculation can be found in the Supporting Information (chapter A). The results of the calculations are values of S(0) = 0.52 for undiluted milk, and S(0) = 0.72 for a dilution factor of 2, in agreement with our measurements.…”

Section: Resultsmentioning

confidence: 99%

The pH Induced Sol−Gel Transition in Skim Milk Revisited. A Detailed Study Using Time-Resolved Light and X-ray Scattering Experiments

et al. 2010

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We present a detailed study of the evolution of the size, structure and stability of casein micelles upon acidification of skim milk typically applied in yogurt-making processes using a combination of time-resolved light and small-angle X-ray scattering experiments. While most of the available light scattering studies on casein acidification have been restricted to transparent and therefore highly diluted samples, we now profit from a newly developed multiangle 3D light scattering instrument, which allows for time-resolved measurements in highly turbid samples. Our experiments clearly demonstrate the presence of two parallel pH-dependent processes, micellar reassembly and aggregation. Using a systematic investigation of the effect of casein concentration, acidification rate, and ionic strength, we are able to decouple these two processes and obtain detailed information about the pH-induced restructuration of the casein micelle structure that occurs prior to destabilization. Moreover, our experiments also unambiguously demonstrate that these micellar reassembly processes are highly concentration dependent, and that typical light scattering studies conducted under highly diluted conditions are resulting in findings that may not be relevant for the situation encountered in industrial processes at higher concentrations. Experiments conducted with covalently cross-linked micelles, where the pH-induced reassembly has been suppressed, further confirm our findings.

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Section: Resultsmentioning

confidence: 99%

The pH Induced Sol−Gel Transition in Skim Milk Revisited. A Detailed Study Using Time-Resolved Light and X-ray Scattering Experiments

et al. 2010

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“…1 and 11 show that the micelles are really quite different from monodisperse hard spheres. In fact, to address this last point, we performed simulations on a polydisperse hard-sphere model with a log-normal 47,48 distribution that corresponded to the distribution of micelle sizes. Surprisingly, such a polydisperse hard-sphere model gave worse agreement with the lattice simulations than the monodisperse model.…”

Section: F Composite Hard-sphere Modelmentioning

confidence: 99%

Simulation study of intra- and intermicellar ordering in triblock-copolymer systems

Wijmans

Eiser

Frenkel

2004

The Journal of Chemical Physics

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We report a numerical study of the structure and phase behavior of a model for a triblock-copolymer solution. The aim of this study is to investigate the nature of the dense micellar phase that can form in such systems. The simulations were performed on a lattice model for PEO ͑poly͑ethylene-oxide͒͒-PPO ͑poly͑propylene-oxide͒͒-PEO polymers. At high volume fractions, the structure factor of the amphiphile-solvent system can be mapped onto that of a monodisperse hard-sphere fluid. Yet, a low-density hard-sphere model cannot account for the properties of the dilute micellar solution. Moreover, direct inspection of the snapshots of the suspension show that these model triblock-copolymer micelles are neither hard, nor spherical, nor monodisperse.

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“…The structure factors were obtained by both direct Fourier transformation of the density-density correlation function [44] and by Fourier transformation of the pair correlation function [42]. The algorithms were tested on the Hard Sphere system and the Lennard Jones 12-6 system for which accurate values are available in literature [38,39,43].…”

Section: Studying Phase Behaviour In Computeromentioning

confidence: 99%

Strong weak and metastable liquids structural and dynamical aspects of the liquid state

Vliegenthart

Lodge

Lekkerkerker

1999

Physica A: Statistical Mechanics and its Applications

109

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Structural and dynamical properties of a model liquid system were studied as a function of the range of the interaction using computer simulations. We observed the usual strong dependency of the global phase diagram on the range of attraction. In systems with long range attractive interactions the structure of the liquid state down to the triple point is determined by the short range repulsive forces. For short ranged attractive interactions however the attraction has a noticeable effect. Although the gas-liquid transition becomes metastable as the attractive range becomes shorter, the change in dynamics in these systems when passing the hidden binodal is gradual rather then abrupt.

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Structure factors of polydisperse systems of hard spheres: A comparison of Monte Carlo simulations and Percus–Yevick theory

Cited by 135 publications

References 16 publications

The pH Induced Sol−Gel Transition in Skim Milk Revisited. A Detailed Study Using Time-Resolved Light and X-ray Scattering Experiments

The pH Induced Sol−Gel Transition in Skim Milk Revisited. A Detailed Study Using Time-Resolved Light and X-ray Scattering Experiments

Simulation study of intra- and intermicellar ordering in triblock-copolymer systems

Strong weak and metastable liquids structural and dynamical aspects of the liquid state

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