Monte Carlo simulation of evaporation-driven self-assembly in suspensions of colloidal rods

Nikolai I. Lebovka, Nikolai V. Vygornitskii, Volodymyr A. Gigiberiya, and Yuri Yu. Tarasevich
Phys. Rev. E 94, 062803 – Published 30 December 2016

Abstract

The vertical drying of a colloidal film containing rodlike particles was studied by means of kinetic Monte Carlo (MC) simulation. The problem was approached using a two-dimensional square lattice, and the rods were represented as linear k-mers (i.e., particles occupying k adjacent sites). The initial state before drying was produced using a model of random sequential adsorption (RSA) with isotropic orientations of the k-mers (orientation of the k-mers along horizontal x and vertical y directions are equiprobable). In the RSA model, overlapping of the k-mers is forbidden. During the evaporation, an upper interface falls with a linear velocity of u in the vertical direction and the k-mers undergo translation Brownian motion. The MC simulations were run at different initial concentrations, pi, (pi[0,pj], where pj is the jamming concentration), lengths of k-mers (k[1,12]), and solvent evaporation rates, u. For completely dried films, the spatial distributions of k-mers and their electrical conductivities in both x and y directions were examined. Significant evaporation-driven self-assembly and orientation stratification of the k-mers oriented along the x and y directions were observed. The extent of stratification increased with increasing value of k. The anisotropy of the electrical conductivity of the film can be finely regulated by changes in the values of pi, k, and u.

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  • Received 18 September 2016

DOI:https://doi.org/10.1103/PhysRevE.94.062803

©2016 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & Thermodynamics

Authors & Affiliations

Nikolai I. Lebovka*

  • Department of Physical Chemistry of Disperse Minerals, F. D. Ovcharenko Institute of Biocolloidal Chemistry, NAS of Ukraine, Kiev, Ukraine, 03142 and Department of Physics, Taras Shevchenko Kiev National University, Kiev, Ukraine, 01033

Nikolai V. Vygornitskii and Volodymyr A. Gigiberiya

  • Department of Physical Chemistry of Disperse Minerals, F. D. Ovcharenko Institute of Biocolloidal Chemistry, NAS of Ukraine, Kiev, Ukraine, 03142

Yuri Yu. Tarasevich

  • Laboratory of Mathematical Modeling, Astrakhan State University, Astrakhan, Russia, 414056

  • *Corresponding author: lebovka@gmail.com
  • Corresponding author: tarasevich@asu.edu.ru

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Issue

Vol. 94, Iss. 6 — December 2016

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