Modeling Nanoparticle Dispersion in Electrospun Nanofibers

Abstract

The quality of nanoparticle dispersion in a polymer matrix significantly influences the macroscopic properties of the composite material. Like general polymer-nanoparticle composites, electrospun nanofiber nanoparticle composites do not have an adopted quantitative model for dispersion throughout the polymer matrix, often relying on a qualitative assessment. Being such an influential property, quantifying dispersion is essential for the process of optimization and understanding the factors influencing dispersion. Here, a simulation model was developed to quantify the effects of nanoparticle volume loading (ϕ) and fiber-to-particle diameter ratios (D/d) on the dispersion in an electrospun nanofiber based on the interparticle distance. A dispersion factor is defined to quantify the dispersion along the polymer fiber. In the dilute regime (ϕ < 20%), three distinct regions of the dispersion factor were defined with the highest quality dispersion shown to occur when geometric constraints limit fiber volume accessibility. This model serves as a standard for comparison for future experimental studies and dispersion models through its comparability with microscopy techniques and as a way to quantify and predict dispersion in electrospinning polymer-nanoparticle systems with a single performance metric.

Quantification of nanoparticle dispersion within polymer matrix using gap statistics

“…(2) To introduce standardisation, an equal number of particles were used and (3) all model images were converted to 1500×1500 pixels. (5) while an equal number of inspected k values [1][2][3][4][5][6][7][8] for the cluster analysis was implemented.…”

“…There are several categories of polymer composites however, polymer nanocomposites are the most extensively researched as they find applications in multidisciplinary fields such as in drug delivery [1], purification systems [3], polymer biomaterials [4] and chemical protection [5]. The microscopic and mechanical properties of nanocomposites are significantly influenced by the nanoparticle dispersion quality [6]. The disparity between the experimental and theoretical tensile strength of nanocomposites can be attributed to the inhomogeneous dispersion of the nano-reinforcement [6][7][8][9].…”

“…The microscopic and mechanical properties of nanocomposites are significantly influenced by the nanoparticle dispersion quality [6]. The disparity between the experimental and theoretical tensile strength of nanocomposites can be attributed to the inhomogeneous dispersion of the nano-reinforcement [6][7][8][9]. The possible states of dispersion are generally classified as either even, random or clustered [6,10].…”

“…The disparity between the experimental and theoretical tensile strength of nanocomposites can be attributed to the inhomogeneous dispersion of the nano-reinforcement [6][7][8][9]. The possible states of dispersion are generally classified as either even, random or clustered [6,10]. However, an evenly and randomly dispersed state represents an optimal condition and usually correlates with enhanced properties.…”

“…Recently, Blazer et al [6], designed model based on interparticle distance, nanoparticle volume loading (f) and fibre-to-particle diameter ratios (D/d). A high value of the dispersion quality (β) indicates high dispersion state.…”