Theoretical Study on Gaussian Polymer Chains for Spin-Echo Small-Angle Neutron Scattering

Tengfei Cui, Xiang-qiang Chu*

*Corresponding author for this work

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

Abstract

This study develops a generalized method for applying spin-echo small-angle neutron scattering (SESANS) to the structural analysis of polymers. Starting from the theoretical framework of SESANS, we developed real space correlation functions for the Gaussian chain model systems consisting of chains with many beads. Further molecular dynamics (MD) simulations affirm that the functions derived by our proposed theoretical work can accurately predict the radii of gyration of polymer chains, which bring straightforward insight of SESANS measurements. This work will enable a broader application of SESANS in soft matter analysis. © 2025 The Authors. Published by American Chemical Society.
Original languageEnglish
Pages (from-to)3339–3344
JournalJournal of Physical Chemistry A
Volume129
Issue number14
Online published13 Feb 2025
DOIs
Publication statusPublished - 10 Apr 2025

Funding

This project was supported by the National Nature Science Foundation of China (No. U2230207), the Guangdong Provincial Quantum Science Strategic Initiative (Grant No. GDZX2203001), and grants from the City University of Hong Kong (Projects No. 9610568, 7006132, and 9610490).

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