This readme.txt file was generated on <2025-05-01 by Recommended citation for the data: Kuenen, Mara K.; Hillmyer, Marc A. (2025). Supporting data for Recyclable crosslinked polyethylene from self-condensing functionalized telechelic polyethylene combining olefin metathesis, hydrogenation, and transesterification. Retrieved from the Data Repository for the University of Minnesota (DRUM). https://doi.org/10.13020/x36e-mv56 ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Supporting Data for Recyclable crosslinked polyethylene from self-condensing functionalized telechelic polyethylene combining olefin metathesis, hydrogenation, and transesterification 2. Author Information: Principal Investigator Contact Information Name: Marc A. Hillmyer Institution: University of Minnesota Address: Chemistry, Minneapolis, Minnesota 55455 Email: hillmyer@umn.edu ORCID: 0000-0001-8255-3853 Associate or Co-investigator Contact Information Name: Mara K. Kuenen Institution: University of Minnesota Address: Chemistry, Minneapolis, Minnesota 55455 Email: mkuenen@umn.edu ORCID: 0000-0002-9478-1244 3. Date published or finalized for release: 2025-05-01 4. Date of data collection: 2023-08-01 to 2025-04-20 5. Geographic location of data collection (where was data collected?): All data except for x-ray scattering was collected at the University of Minnesota, Minneapolis, MN. X-ray scattering data was collected at Argonne National Laboratory, DuPage County, IL. 6. Information about funding sources that supported the collection of the data: The authors acknowledge financial support from the NSF Center for Sustainable Polymers at the University of Minnesota, which is a National Science Foundation supported Center for Chemical Innovation (CHE-1901635). NMR experiments were performed on instruments supported by the Office of the Vice President of Research, College of Science and Engineering, the Department of Chemistry at the University of Minnesota, and the Office of the Director, National Institutes of Health (Award No. S10OD011952). The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. X-ray scattering experiments were performed at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by Northwestern University, The Dow Chemical Company, and DuPont de Nemours, Inc. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Data was collected using an instrument funded by the National Science Foundation under Award Number 0960140. 7. Overview of the data (abstract): The data presented here are in support of the manuscript entitled "Recyclable crosslinked polyethylene from self-condensing functionalized telechelic polyethylene combining olefin metathesis, hydrogenation, and transesterification". Crosslinked polyethylene (PEX) is a high-performance thermoset with improved thermomechanical properties compared to its parent linear polymer, polyethylene (PE). The covalent bonds linking PEX, however, prevent efficient recycling or reprocessing, which represents a critical liability with respect to addressing the current global plastic waste crisis. Current strategies to impart recyclability into PEX rely largely on radical chemistries which are difficult to control and lead to side reactions. Here, leveraging the versatility of ruthenium-based catalysis, we prepare self-condensing PE with both telechelic and pendent functional groups (hydroxyls and esters, respectively). Self-condensation of these polymers gives ester-crosslinked PEX which returns to the original linear polymer upon alcoholysis. In addition to chemical recyclability, these materials exhibit stress relaxation at elevated temperatures and we demonstrate their vitrimeric behavior in a simple reprocessing experiment. Together, this study provides a design strategy for recyclable PEX and will inform the design of other self-crosslinkable polymers. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal 2. Links to publications that cite or use the data: Forthcoming 3. Was data derived from another source? If yes, list source(s): 4. Terms of Use: Data Repository for the U of Minnesota (DRUM) By using these files, users agree to the Terms of Use. https://conservancy.umn.edu/pages/policies/#drum-terms-of-use --------------------- DATA & FILE OVERVIEW --------------------- The files are organized by Figure and Table with the type of analysis noted in the folder name and/or in the filenames. Scheme and structure files are present as ChemDraw files (.cdxml). Nuclear magnetic resonance (NMR) spectroscopy files (folders) can be opened with MNOVA or another NMR processing software. Size exclusion chromatography (SEC) files are present as raw data files that can be opened in Excel (.csv). Differential scanning calorimetry (DSC) files are present as exported temperature and heat flow data that can be opened in Excel (.xls). Thermogravimetric analysis (TGA) files are present as exported temperature and mass data that can be opened in Excel (.csv). Tensile test files are present as exported force, stroke, stress, and strain data that can be opened in Excel (.csv). Stress relaxation (SR) files are present as exported time and modulus data that can be opened in Excel (.xls) X-ray scattering files are present as 1D scattering vector (q) and intensity (I) data that can be opened in Excel (.txt) and as 2D images in .jpg format. Swelling and gel fraction data are present as mass data that can be opened in Excel (.csv or .xlsx) Other abbreviations used in the filenames are: PCOE - polycyclooctene PE - polyethylene COE-COOBu - butyl (Z)-cyclooct-4-ene-1-carboxylate PE_7k - polyethylene with molar mass = 7 kg/mol PE_13k - polyethylene with molar mass = 13 kg/mol PE_25k - polyethylene with molar mass = 25 kg/mol PEX_7k - crosslinked polyethylene made from polyethylene with molar mass = 7 kg/mol PEX_13k - crosslinked polyethylene made from polyethylene with molar mass = 13 kg/mol PEX_25k - crosslinked polyethylene made from polyethylene with molar mass = 25 kg/mol PE_7k_r - recycled polyethylene with molar mass = 7 kg/mol PE_13k_r - recycled polyethylene with molar mass = 13 kg/mol PE_25k_r - recycled polyethylene with molar mass = 25 kg/mol PEX_7k_r - recycled crosslinked polyethylene made from polyethylene with molar mass = 7 kg/mol PEX_13k_r - recycled crosslinked polyethylene made from polyethylene with molar mass = 13 kg/mol PEX_25k_r - recycled crosslinked polyethylene made from polyethylene with molar mass = 25 kg/mol 1. File List Filename: Supporting Data.zip Description: Includes NMR, SEC, DSC, TGA, stress relaxation, tensile testing, SAXS, and WAXS Filename: README.txt Description: Documentation of raw data -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: Experimental methods are described in the journal article's supporting information pdf document for Recyclable crosslinked polyethylene from self-condensing functionalized telechelic polyethylene combining olefin metathesis, hydrogenation, and transesterification. All data except x-ray scattering was collected by Mara Kuenen. X-ray data was collected by Daniel Krajovic. ------------------------- DATA TREE ------------------------- \---DATA +---Figure 1 | | PE_13k_r_SEC.csv | | PE_13k_SEC.csv | | PE_25k_r_SEC.csv | | PE_25k_SEC.csv | | PE_7k_r_SEC.csv | | PE_7k_SEC.csv | | PE_synthesis_scheme.cdxml | | | +---PE_13k_NMR | | \---1 | | | acqu | | | acqus | | | audita.txt | | | fid | | | format.ased | | | format.temp | | | fq1list | | | precom.output | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | 1i | | 1r | | auditp.txt | | outd | | proc | | procs | | thumb.png | | title | | | +---PE_13k_r_NMR | | \---1 | | | acqu | | | acqus | | | audita.txt | | | fid | | | format.ased | | | format.temp | | | fq1list | | | precom.output | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | 1i | | 1r | | auditp.txt | | outd | | proc | | procs | | thumb.png | | title | | | +---PE_25k_NMR | | \---1 | | | acqu | | | acqus | | | audita.txt | | | fid | | | format.ased | | | format.temp | | | fq1list | | | precom.output | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | 1i | | 1r | | auditp.txt | | outd | | proc | | procs | | thumb.png | | title | | | +---PE_25k_r_NMR | | \---1 | | | acqu | | | acqus | | | audita.txt | | | fid | | | format.ased | | | format.temp | | | fq1list | | | precom.output | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | 1i | | 1r | | auditp.txt | | outd | | proc | | procs | | thumb.png | | title | | | +---PE_7k_NMR | | \---1 | | | acqu | | | acqus | | | audita.txt | | | fid | | | format.ased | | | format.temp | | | fq1list | | | precom.output | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | 1i | | 1r | | auditp.txt | | outd | | proc | | procs | | thumb.png | | title | | | \---PE_7k_r_NMR | \---1 | | acqu | | acqus | | audita.txt | | fid | | format.ased | | format.temp | | pulseprogram | | scon2 | | shimvalues | | specpar | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | 1i | 1r | auditp.txt | outd | proc | procs | thumb.png | title | +---Figure 2 | gel_fraction.csv | gel_fraction.xlsx | PE_13k_r_SEC.csv | PE_13k_SEC.csv | PE_25k_r_SEC.csv | PE_25k_SEC.csv | PE_7k_r_SEC.csv | PE_7k_SEC.csv | swelling.csv | swelling.xlsx | +---Figure 3 | PEX-A_DSC.xls | PEX_13k-r_DSC.xls | PEX_13k-r_tensile.csv | PEX_13k_DSC.xls | PEX_13k_tensile.csv | PEX_25k-r_DSC.xls | PEX_25k-r_tensile.csv | PEX_25k_DSC.xls | PEX_25k_tensile.csv | PEX_7k-r_DSC.xls | PEX_7k-r_tensile.csv | PEX_7k_DSC.xls | PEX_7k_tensile.csv | +---Figure 4 | PEX-A_SR.xlsx | PEX_13k_SR.xls | PEX_25k_SR.xls | PEX_7k_SR.xls | reprocessed_PEX_7k_tensile.csv | \---Supplementary Information Data +---Figure S10 | PE_7k-r_1day.csv | PE_7k-r_3days_SEC.csv | PE_7k_SEC.csv | +---Figure S11 | PEX_13k-r_TGA.txt | PEX_13k_TGA.txt | PEX_25k-r_TGA.txt | PEX_25k_TGA.txt | PEX_7k-r_TGA.txt | PEX_7k_TGA.txt | +---Figure S12 | PE_13k.xls | PE_25k.xls | PE_7k.xls | +---Figure S13 | PEX-A_DSC.xls | PEX_13k_DSC.xls | PEX_25k_DSC.xls | PEX_7k_DSC.xls | +---Figure S14 | PEX_13k-r_DSC.xls | PEX_25k-r_DSC.xls | PEX_7k-r_DSC.xls | +---Figure S15 | PEX_7k-r_tensile.csv | PEX_7k_tensile.csv | +---Figure S16 | PEX_13k-r_tensile.csv | PEX_13k_tensile.csv | +---Figure S17 | PEX_25k-r_tensile.csv | PEX_25k_tensile.csv | +---Figure S18 | +---control | | \---10 | | | acqu | | | acqus | | | audita.txt | | | fid | | | format.temp | | | fq1list | | | precom.output | | | prosol_History | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | stanprogram17958 | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | outd | | proc | | procs | | title | | | \---rinsed_product | \---10 | | acqu | | acqus | | audita.txt | | fid | | format.temp | | fq1list | | precom.output | | prosol_History | | pulseprogram | | scon2 | | shimvalues | | specpar | | stanprogram17958 | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | outd | proc | procs | title | +---Figure S19 | PEX_13k_strainsweep.xls | +---Figure S20 | PEX_13k_SR.xls | PEX_25k_SR.xls | PEX_7k_SR.xls | +---Figure S22 | PEX-A_SAXS.txt | PEX_13k_SAXS.txt | PEX_13k_WAXS.txt | PEX_25k_SAXS.txt | PEX_25k_WAXS.txt | PEX_7k_SAXS.txt | PEX_7k_WAXS.txt | PEX_A_WAXS.txt | +---Figure S23 | PEX_13k_SAXS_post-tensile.jpg | PEX_13k_SAXS_pre-tensile.jpg | PEX_13k_WAXS_post-tensile.jpg | PEX_13k_WAXS_pre-tensile.jpg | PEX_25k_SAXS_post-tensile.jpg | PEX_25k_SAXS_pre-tensile.jpg | PEX_25k_WAXS_post-tensile.jpg | PEX_25k_WAXS_pre-tensile.jpg | PEX_7k_SAXS_post-tensile.jpg | PEX_7k_SAXS_pre-tensile.jpg | PEX_7k_WAXS_post-tensile.jpg | PEX_7k_WAXS_pre-tensile.jpg | +---Figure S24 | +---SAXS_100_C | | PEX_13k.txt | | PEX_25k.txt | | PEX_7k.txt | | | +---SAXS_150_C | | PEX_13k.txt | | PEX_25k.txt | | PEX_7k.txt | | | +---SAXS_25_C | | PEX_13k.txt | | PEX_25k.txt | | PEX_7k.txt | | | \---SAXS_70_C | PEX_13k.txt | PEX_25k.txt | PEX_7k.txt | +---Figure S25 | \---Figure S25 | PE_25k_tensile.csv | \---NMR (Figures S1-S9) +---COE-COOBu | +---13C | | | acqu | | | acqus | | | audita.txt | | | cpdprg2 | | | fid | | | format.temp | | | fq1list | | | precom.output | | | prosol_History | | | pulseprogram | | | scon2 | | | shimvalues | | | specpar | | | stanprogram17958 | | | topshimreport | | | uxnmr.info | | | uxnmr.par | | | vtc_pid_settings | | | | | \---pdata | | \---1 | | outd | | proc | | procs | | title | | | \---1H | | 240722_MKK103.10.fid.mnova | | acqu | | acqus | | audita.txt | | fid | | format.temp | | fq1list | | precom.output | | prosol_History | | pulseprogram | | scon2 | | shimvalues | | specpar | | stanprogram17958 | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | outd | proc | procs | title | +---PCOE_13k | \---10 | | acqu | | acqus | | audita.txt | | fid | | format.temp | | fq1list | | precom.output | | prosol_History | | pulseprogram | | scon2 | | shimvalues | | specpar | | stanprogram17958 | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | outd | proc | procs | title | +---PCOE_25k | \---10 | | acqu | | acqus | | audita.txt | | fid | | format.temp | | fq1list | | precom.output | | prosol_History | | pulseprogram | | scon2 | | shimvalues | | specpar | | stanprogram9391 | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | outd | proc | procs | title | +---PCOE_7k | \---10 | | acqu | | acqus | | audita.txt | | fid | | format.temp | | fq1list | | precom.output | | prosol_History | | pulseprogram | | scon2 | | shimvalues | | specpar | | stanprogram17958 | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | outd | proc | procs | title | +---PE_13k | \---1 | | acqu | | acqus | | audita.txt | | fid | | format.ased | | format.temp | | fq1list | | precom.output | | pulseprogram | | scon2 | | shimvalues | | specpar | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | 1i | 1r | auditp.txt | outd | proc | procs | thumb.png | title | +---PE_13k-r | \---1 | | acqu | | acqus | | audita.txt | | fid | | format.ased | | format.temp | | fq1list | | precom.output | | pulseprogram | | scon2 | | shimvalues | | specpar | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | 1i | 1r | auditp.txt | outd | proc | procs | thumb.png | title | +---PE_25k | \---1 | | acqu | | acqus | | audita.txt | | fid | | format.ased | | format.temp | | fq1list | | precom.output | | pulseprogram | | scon2 | | shimvalues | | specpar | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | 1i | 1r | auditp.txt | outd | proc | procs | thumb.png | title | +---PE_25k-r | \---1 | | acqu | | acqus | | audita.txt | | fid | | format.ased | | format.temp | | fq1list | | precom.output | | pulseprogram | | scon2 | | shimvalues | | specpar | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | 1i | 1r | auditp.txt | outd | proc | procs | thumb.png | title | +---PE_7k | \---1 | | acqu | | acqus | | audita.txt | | fid | | format.ased | | format.temp | | fq1list | | precom.output | | pulseprogram | | scon2 | | shimvalues | | specpar | | topshimreport | | uxnmr.info | | uxnmr.par | | vtc_pid_settings | | | \---pdata | \---1 | 1i | 1r | auditp.txt | outd | proc | procs | thumb.png | title | \---PE_7k-r \---1 | acqu | acqus | audita.txt | fid | format.ased | format.temp | pulseprogram | scon2 | shimvalues | specpar | uxnmr.info | uxnmr.par | vtc_pid_settings | \---pdata \---1 1i 1r auditp.txt outd proc procs thumb.png title