A Comprehensive Brownian Dynamics-Based Forward Model for Analytical (Ultra)Centrifugation

Journal article
(Original article)


Publication Details

Author(s): Thajudeen T, Walter J, Uttinger M, Peukert W
Journal: Particle & Particle Systems Characterization
Publisher: Wiley-VCH Verlag
Publication year: 2017
Volume: 34
Journal issue: 1
ISSN: 0934-0866


Abstract

In this study, it is demonstrated how Brownian dynamics (BD) simulations can be used as a comprehensive forward model for analytical ultracentrifugation (AUC) and analytical centrifugation experiments. BD simulations are a versatile alternative to the numerical solution of Lamm's equation. Time dependent concentration profiles can be accurately predicted by means of the BD simulations even for colloidal systems with multiple species. It is shown that in combination with Mie's theory for light scattering, BD simulations can be extended to generate data mimicking a multiwavelength detector for AUC. The forward model can be utilized as a comprehensive tool for developing and testing sophisticated data analyzing tools that can enhance the capabilities of using centrifugation-based techniques for characterizing nanoparticles. The model is validated using common analysis tools developed for the evaluation of sedimentation velocity data generated by a single wavelength extinction detector. The accuracy of the code is also proved using the recently developed and highly versatile High Dynamic Range-MULTIwavelength FITting tool for accurately predicting particle size distributions via gravitational sweep experiments performed in AUCs equipped with multiwavelength detectors.


FAU Authors / FAU Editors

Peukert, Wolfgang Prof. Dr.-Ing.
Lehrstuhl für Feststoff- und Grenzflächenverfahrenstechnik
Thajudeen, Thaseem
Lehrstuhl für Feststoff- und Grenzflächenverfahrenstechnik
Uttinger, Maximilian
Lehrstuhl für Feststoff- und Grenzflächenverfahrenstechnik
Walter, Johannes Dr.-Ing.
Lehrstuhl für Feststoff- und Grenzflächenverfahrenstechnik


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


Research Fields

A1 Functional Particle Systems
Exzellenz-Cluster Engineering of Advanced Materials


How to cite

APA:
Thajudeen, T., Walter, J., Uttinger, M., & Peukert, W. (2017). A Comprehensive Brownian Dynamics-Based Forward Model for Analytical (Ultra)Centrifugation. Particle & Particle Systems Characterization, 34(1). https://dx.doi.org/10.1002/ppsc.201600229

MLA:
Thajudeen, Thaseem, et al. "A Comprehensive Brownian Dynamics-Based Forward Model for Analytical (Ultra)Centrifugation." Particle & Particle Systems Characterization 34.1 (2017).

BibTeX: 

Last updated on 2019-14-03 at 12:40