Microstructure of amide-functionalized polyethylenes determined by NMR relaxometry

Amidation of polyethylenes creates a range of amide-containing materials with enhanced properties, but the effect of these functional groups on the microstructure of these new materials is not known. Here we employ solid-state nuclear magnetic resonance (NMR) techniques to analyze the microstructure of amide-modified polyethylenes. While a decrease in crystallinity was observed with increasing amounts of functionalization, we found by measuring the chain mobility of the crystalline, amorphous, and interphasial regions of the polyethylenes with NMR relaxation techniques that the grafted amidyl groups partition into the rigid amorphous fraction (RAF) between the crystalline and amorphous regions. The chemical specificity of these NMR experiments creates precise assessments of the location of functional groups within the materials. Together, these insights into the microstructure and morphology of amide-containing polyethylenes lay a foundation for a deeper understanding of the structure a..., , # Microstructure of amide-functionalized polyethylenes determined by NMR relaxometry

Dataset DOI: [10.5061/dryad.kwh70rzk3](https://doi.org/10.5061/dryad.kwh70rzk3)

## Description of the data and file structure

We have submitted the raw data for our NMR measurements (NMR_characterization.zip and NMR_data.zip), DSC experiments (DSC_experiments.zip), GPC measurements (GPC_characterization.zip), X-ray measurements (X-ray_data.zip), tensile experiments (Tensile_experiments.zip), and code for T1rho simulations (Code_for_T1rho_simulations.zip).

### Files and variables

#### Code_for_T1rho_simulation.zip

This folder contains the code used to run T1rho simulations. MATLAB is required to run the spin diffusion simulations. The scripts were created using version 2023a (Mathworks, Natick, MA) and are commented to indicate the input/output structure and to annotate the operations performed in each part. The 'spinDiffusion_forward.m' file runs the core simulation; it calls the function 'evolve_..., ,