Monte Carlo simulation on the concentration distribution of non-spherical particles in cylindrical pores

We employed the Monte Carlo simulation methodology to emulate the diffusion of fluorescently labeled particles and understand the source of differences between values of diffusion coefficients (and consequently hydrodynamic radii) of fluorescently labeled nanoparticles measured by fluorescence correlation spectroscopy (FCS) and dynamic light scattering (DLS). We used the simulation program developed in our laboratory and studied the diffusion of spherical particles of different sizes, which are labeled on their surface. In this study, we focused on two complicating effects: (i) multiple labeling and (ii) rotational diffusion which affect the fluorescence signal from large particles and hinder the analysis of autocorrelation functions according to simple analytical models. We have shown that the fluorescence fluctuations can be well fitted using the analytical model for small point-like particles, but the obtained parameters deviate in some cases significantly from the real ones. It means that the current data treatment yields apparent values of diffusion coefficients and other parameters only and the interpretation of experimental results for systems of particles with sizes comparable to the size of the active illuminated volume requires great care and precaution.

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Grand Potential, Helmholtz Free Energy, and Entropy Calculation in Heterogeneous Cylindrical Pores by the Grand Canonical Monte Carlo Simulation Method

The Journal of Physical Chemistry B ◽

10.1021/jp0474834 ◽

2005 ◽

Vol 109 (1) ◽

pp. 480-487 ◽

Cited By ~ 32

Author(s):

Joël Puibasset

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Free Energy ◽

Helmholtz Free Energy ◽

Simulation Method ◽

Monte Carlo Simulation Method ◽

Grand Canonical Monte Carlo ◽

Grand Potential ◽

Cylindrical Pores ◽

Grand Canonical

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Monte Carlo simulation of coagulation in discrete particle-size distributions. Part 2. Interparticle forces and the quasi-stationary equilibrium hypothesis

Journal of Fluid Mechanics ◽

10.1017/s0022112084001403 ◽

1984 ◽

Vol 143 ◽

pp. 387-411 ◽

Cited By ~ 11

Author(s):

I. A. Valioulis ◽

E. J. List ◽

H. J. Pearson

Keyword(s):

Monte Carlo Simulation ◽

Particle Size ◽

Monte Carlo ◽

Particle Size Distribution ◽

Size Distribution ◽

Dimensional Analysis ◽

Spherical Particles ◽

Size Distributions ◽

Particle Size Distributions ◽

Coagulation Rate

Hunt (1982) and Friedlander (1960a, b) used dimensional analysis to derive expressions for the steady-state particle-size distribution in aerosols and hydrosols. Their results were supported by the Monte Carlo simulation of a non-interacting coagulating population of suspended spherical particles developed by Pearson, Valioulis & List (1984). Here the realism of the Monte Carlo simulation is improved by accounting for the modification to the coagulation rate caused by van der Waals', electrostatic and hydrodynamic forces acting between particles. The results indicate that the major hypothesis underlying the dimensional reasoning, that is, collisions between particles of similar size are most important in determining the shape of the particle size distribution, is valid only for shear-induced coagulation. It is shown that dimensional analysis cannot, in general, be used to predict equilibrium particle-size distributions, mainly because of the strong dependence of the interparticle force on the absolute and relative size of the interacting particles.

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