Evaluating alignment of elongated nanoparticles in cylindrical geometries through small angle X-ray scattering experiments

TL;DR

This paper presents a method to reconstruct the full 3D orientation distribution of elongated nanoparticles from SAXS data, enabling better understanding and optimization of flow-induced alignment in microfluidic processes.

Contribution

A novel approach to reconstruct 3D nanoparticle orientation distributions from SAXS experiments assuming uniform azimuthal distribution, validated with experimental data.

Findings

Revised orientation parameters for cellulose nanofibrils in flow.

Method enables improved modeling of nanoparticle alignment.

Potential to optimize nanoparticle assembly processes.

Abstract

The increased availability and brilliance of new X-ray facilities have in the recent years opened up the possibility to characterize the motion of dispersed nanoparticles in various microfluidic applications. One of these applications is the process of making strong continuous filaments through hydrodynamic alignment and assembly of cellulose nanofibrils (CNF) demonstrated by H{\aa}kansson et al. [Nature communications 5, 2014]. In this process it is vital to study the alignment of the nanofibrils in the flow, as this in turn affects the final material properties of the dried filament. Small angle X-ray scattering (SAXS) is a well-suited characterization technique for this, which typically provides the alignment in a projected plane perpendicular to the beam direction. In this work, we demonstrate a simple method to reconstruct the full three-dimensional (3D) orientation distribution function (ODF) from a SAXS-experiment through the assumption that the azimuthal angle of the nanofibril around the flow direction is distributed uniformly; an assumption that is approximately valid in the flow-focusing process. For demonstrational purposes, the experimental results from H{\aa}kansson et al. (2014) have been revised, resulting in a small correction to the presented order parameters. The results are then directly compared with simple numerical models to describe the increased alignment of CNF both in the flowing system and during the drying process. The proposed reconstruction method will allow for further improvements of theoretical or numerical simulations and consequently open up new possibilities for optimizing assembly processes, which include flow-alignment of elongated nanoparticles.