Simulations of the PDF functions for dilute colloidal suspensions of molecular particles flowing in mesopores with rough surface boundaries

Ali Atwi, Abbas Hijazi, Antoine Khater

Research output: Contribution to journalArticle

Abstract

Simulations have been carried out to analyze the dynamics of dilute colloidal suspensions of macromolecular particles in solutions flowing in pores, subject to hydrodynamic forces, Brownian motion and stochastic collisions at rough pore boundaries in a two-dimensional spatial frame. A theoretical model is developed and intensively analyzed for the treatment of the mechanical restitution of the particles due to dynamic collisions at these boundaries. In particular we are able to calculate the Probability distribution functions for the spatial positions and the orientations of rod-like particles inside the pores. The results are presented for different widths of pore channels referenced to the size of a rod-like particle. These simulations are general in the sense that they are developed for confining and open pore channels, rough at the nano scale. The simulations also permit calculating the nematic order parameters for colloidal suspensions; the model calculation is applied for dilute colloidal suspensions of carbon nano-tubes in an aqueous single-stranded DNA solution flowing inside pores. Our calculated nematic order results for dilute suspensions of particles of known lengths flowing inside porous systems should indicate, when coupled to birefringence and dichroism experimental results, the possibility to estimate the pore widths for these systems.

Original languageEnglish
Pages (from-to)15-29
Number of pages15
JournalColloid Journal
Volume78
Issue number1
DOIs
Publication statusPublished - 1 Jan 2016
Externally publishedYes

Fingerprint

colloids
Suspensions
porosity
Brownian movement
Dichroism
Birefringence
Probability distributions
Distribution functions
DNA
Hydrodynamics
simulation
Carbon
Single-Stranded DNA
rods
collisions
probability distribution functions
confining
dichroism
birefringence
deoxyribonucleic acid

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Colloid and Surface Chemistry
  • Surfaces and Interfaces

Cite this

Simulations of the PDF functions for dilute colloidal suspensions of molecular particles flowing in mesopores with rough surface boundaries. / Atwi, Ali; Hijazi, Abbas; Khater, Antoine.

In: Colloid Journal, Vol. 78, No. 1, 01.01.2016, p. 15-29.

Research output: Contribution to journalArticle

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