title: A simple and accurate method for calculation of the structure factor of interacting charged spheres.
abstract: Calculation of the structure factor of a system of interacting charged spheres based on the Ginoza solution of the Ornstein-Zernike equation has been developed and implemented on a stand-alone spreadsheet. This facilitates direct interactive numerical and graphical comparisons between experimental structure factors with the pioneering theoretical model of Hayter-Penfold that uses the Hansen-Hayter renormalisation correction. The method is used to fit example experimental structure factors obtained from the small-angle neutron scattering of a well-characterised charged micelle system, demonstrating that this implementation, available in the supplementary information, gives identical results to the Hayter-Penfold-Hansen approach for the structure factor, S(q) and provides direct access to the pair correlation function, g(r). Additionally, the intermediate calculations and outputs can be readily accessed and modified within the familiar spreadsheet environment, along with information on the normalisation procedure.
authors.affiliation: Particulate Fluids Processing Centre, University of Melbourne, Parkville, VIC 3010, Australia; Department of Mathematics and Statistics, University of Melbourne, Parkville, VIC 3010, Australia.
authors.forename: Chu
authors.initials: C
authors.lastname: Wu
authors.affiliation: Particulate Fluids Processing Centre, University of Melbourne, Parkville, VIC 3010, Australia; Department of Mathematics and Statistics, University of Melbourne, Parkville, VIC 3010, Australia; Department of Chemistry and Biotechnology, Swinburne University of Technology, Hawthorn 3122, Australia. Electronic address: d.chan@unimelb.edu.au.
authors.forename: Derek Y C
authors.initials: DY
authors.lastname: Chan
authors.affiliation: School of Chemistry, Monash University, Clayton, VIC 3800, Australia. Electronic address: rico.tabor@monash.edu.
authors.forename: Rico F
authors.initials: RF
authors.lastname: Tabor
keywords: Charged spheres; Ginoza; Hayter–Penfold; SANS; SAXS; Screened Coulomb; Structure factor; Yukawa potential