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Dataset for Monitoring Photo-depolymerization of Polyethylene Terephthalate using Time-Resolved Diffusion NMR on a benchtop spectrometer

Version 1.0

Khalid, Farwa; Urbańczyk, Mateusz, 2025, "Dataset for Monitoring Photo-depolymerization of Polyethylene Terephthalate using Time-Resolved Diffusion NMR on a benchtop spectrometer", https://doi.org/10.18150/0MJEKB, RepOD, V1

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Description

Raw NMR data(Time-Resolved Diffusion NMR - path "UV 365/Acquired/DOSY" and 1H NMR - path "UV 365/Acquired/1D") of photodegradation of Polyethylene Terephthalate under UV light. Data recorded on Magritek Spinsolve 80MHz Ultra spectrometer.


Additionally, the repository contains processing scripts for preparation two figures:

"A) 1H spectra of the reaction mixture recorded at different reaction times (0h to 137h). The black line represents the start of the reaction, the orange and gray spectra correspond to intermediate stages, and the blue line represents the end of the response. The region highlighted in purple and orange shows the byproducts of the polymer, specifically the aldehydic and methyl fragments cleaved from the main polymer chain during the photo depolymerization process. (B, C) Normalized integrals of signals B and C are plotted as a function of time, providing insights into reaction kinetics."

and

"Average Diffusion Coefficient, dispersity, and the molecular mass changes during the reaction. (A) The average diffusion coefficient of the polymer increase over time, which shows that the products formed have a low molecular weight and faster diffusing fragments. (B) The dispersity decreases during the reaction, indicating that the polymer chain becomes more uniform. (C) The average molecular weight of the polymer decreases throughout the reaction. "

The instructions how to process the data is in file: "Instruction for data Processing.docx"



Subject
Chemistry
Keyword

NMR, PET, Polyethylene terephthalate, depolymerization

Related Publication

Farwa Khalid, Mateusz Urbańczyk "Dataset for Monitoring Photo-depolymerization of Polyethylene Terephthalate using Time-Resolved Diffusion NMR on a benchtop spectrometer" submmitted :

CC0 Creative Commons Zero 1.0 CC0 Creative Commons Zero 1.0

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NMRPETDATA.zip
ZIP Archive - 1.1 GB - Oct 28, 2025 - 0 Downloads
MD5: 61de4e30e8cbbd4d85b05f945f8011c8
License: CC0 Creative Commons Zero 1.0
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