Dataset DOI: 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_diff_relax.m,' which is the evolution kernel with implicit diffusion and explicit relaxation. The filed named 'spinDiffusion_fit.m' is used to set the parameters, input data, run the simulation, and plot output.

DSC_experiments.zip

This folder contains data from differential scanning calorimetry (DSC) experiments of each polymer sample (0%-NHBz-HDPE, 1%-NHBz-HDPE, 2%-NHBz-HDPE) in triplicate. Data was acquired on a TA Discovery DSC 25 instrument and the data files were exported from the TRIOS software. Each file contains multiple tabs, including information on experimental details, data analyses, and raw data from each heating stage. The tab labeled "Ramp 10.00 °C min to 170.00 °C-2" includes the raw data from the second heating cycle. 

Time:  Time of measurement (min)

Temperature: Temperature of measurement (°C)

Heat flow (Normalized): Measured heat flow (W/g) normalized to the sample mass 

GPC_characterization.zip

This folder contains data from gel permeation chromatography (GPC) measurements of each polymer sample (0%-NHBz-HDPE, 1%-NHBz-HDPE, 2%-NHBz-HDPE, 0%_LDPE, 1%-LDPE-A, 1%-LDPE-B, 1%-LDPE-C, 1%-LDPE-D). 

X: Time of measurement (min)

Y: Refractive index (normalized)

Mn: Number average molecular weight

Mw: Weight average molecular weight

Mz: Z-average molecular weight

Mw/Mn: Polydispersity Index

NMR_characterization.zip

This folder contains solution-state NMR data for the characterization of polymers and small molecules (0%-LDPE, 1%-LDPE-A, 1%-LDPE-B, 1%-LDPE-C, 1%-LDPE-D, 0%-NHBz-HDPE, 1%-NHBz-HDPE, 2%-NHBz-HDPE, 4-(3,5-diphenylphenyl)-benzamide, BzHN-C18H37). These files can be opened with NMR processing softwares such as MestRenova, TopSpin, or free online viewers such as NMRium. 

Tensile_experiments.zip

This folder contains data from tensile testing experiments of each polymer (0%-NHBz-HDPE, 1%-NHBz-HDPE, 2%-NHBz-HDPE). The subfolders for each polymer sample include data files for each set of measurements (id_tens and is_tens files) which can be opened with the Instron Bluehill Universal software. To ensure unrestricted access to these data, we also have included exported files from the Instron Bluehill Universal software, including a pdf summary (labeled as a is_tens.pdf file) and csv files for each individual measurement (combined in a subfolder labeled as a is_tens_Exports folder).

Time: Time of measurement (s) 

Displacement: Displacement of polymer sample (mm)

Force: Measured force (kN)

Tensile stress: Measured stress (MPa)

Tensile strain: Strain of polymer sample (%)

Area under curve: Calculated area under stress-strain curve (MPa)

Modulus: Young's modulus of polymer sample (MPa)

Tensile stress at yield: Tensile stress at yield point (zero slope) (MPa)

Tensile strain at maximum force: Displacement of polymer sample at maximum force (%)

Tensile strain at break: Displacement of polymer sample at break (%) 

X-ray_data.zip

This folder contains data from small-angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS)  experiments of each polymer (HDPE, 1%-HDPE, 2%-HDPE). Data files can be opened with a text editor.  

q: Scattering vector in reciprocal space representing the momentum transfer in elastic X-ray scattering and characterizing the length scales of density-density correlations probed in SAXS/WAXS.

I(q): Scattering intensity, which is the ensemble-averaged squared magnitude of the scattering amplitude 𝐴(𝑞), representing the Fourier transform of the electron density contrast.

q_err: Error bar of q from the data reduction process.

I(q)_err: the error bar of I(q) from the data reduction process.

NMR_Data.zip

This folder contains data from solid-state and solution-state NMR experiments (1H solution-state measurements for 0, 1, 2% HDPE included in Figure 1, 1H T1ρ measurements for 0, 1, 2% HDPE, A-D LDPE, control samples, stretched HDPE, 1H T1 measurements for 0, 1, 2%-HDPE, 1H T2 measurements for 0, 1, 2% HDPE, modified 1H T1ρ measurements for simulations for 0 and 2% HDPE, 13C CP measurements for 0, 1, 2% HDPE, 13C CP buildup for 0, 1, 2% HDPE, 13C DP experiments for 0, 1, 2% HDPE). These files can be opened with NMR processing softwares such as TopSpin or free online viewers such as NMRium.