This file README was updated on 2023-10-20 by Yoon-Jung Jang Recommended citation for the data: Jang, Yoon-Jung; Nguyen, Sam; Hillmyer, Marc A. (2024). Supporting data for Chemically Recyclable Linear and Branched Polyethylenes Synthesized from Stoichiometrically Self-balanced Telechelic Polyethylenes. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/39me-vb21. ------------------- GENERAL INFORMATION ------------------- Title of Dataset: Supporting data for Chemically Recyclable Linear and Branched Polyethylenes Synthesized from Stoichiometrically Self-balanced Telechelic Polyethylenes Author Information: Principal Investigator Contact Information Name: Marc A. Hillmyer Institution: University of Minnesota Address: 207 Pleasant Street SE, Minneapolis, Minnesota 55455 Email: hillmyer@umn.edu Associate or Co-investigator Contact Information Name: Yoon-Jung Jang Institution: University of Minnesota Address: 207 Pleasant Street SE, Minneapolis, Minnesota 55455 Email: jang0061@umn.edu Associate or Co-investigator Contact Information Name: Sam Nguyen Institution: University of Minnesota Address: 207 Pleasant Street SE, Minneapolis, Minnesota 55455 Email: nguy3977@umn.edu Date of data collection (single date, range, approximate date): February 2022- August 2023 Geographic location of data collection (where was data collected?): University of Minnesota, Minneapolis, MN. Information about funding sources that supported the collection of the data: This research was supported by a grant from the Center for Sustainable Polymers at the University of Minnesota, a National Science Foundation (NSF)-supported Center for Chemical Innovation (Grant CHE-1901635). -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal 2. Links to publications that cite or use the data: Jang, Y.-J., Nguyen, S., Hillmyer, M.A. (2023). Chemically Recyclable Linear and Branched Polyethylenes Synthesized from Stoichiometrically Self-balanced Telechelic Polyethylenes. https://doi.org/10.1021/jacs.3c12660 3. Links to other publicly accessible locations of the data: 4. Links/relationships to ancillary data sets: 5. Was data derived from another source? --------------------- DATA & FILE OVERVIEW --------------------- Purpose Statement: This document describes the raw datasets associated with the manuscript "Chemically Recyclable Linear and Branched Polyethylenes Synthesized from Stoichiometrically Self-balanced Telechelic Polyethylenes" General Notes: The files are organized by the type of data. Subfolders are separated by polymers described in the manuscript and supporting information. Files Contained: The data tree below includes the following raw data: differential scanning calorimetry (DSC) data, extensional rheology data, infrared (IR) spectroscopy data, matrix-assisted laser desorption ionization (MALDI) data, nuclear magnetic resonance (NMR) data, size exclusion chromatography (SEC) data, small-angle x-ray scattering (SAXS) data, tensile data, thermogravimetric analysis (TGA) data, water vapor permeability data,wide-angle x-ray scattering (WAXS) data. Additionally, the ChemDraw files for all schemes in the manuscript are included as .cdxml and .jpg. The each folder for NMR was downloaded from the Bruker NMR spectroscopy instrument. The .fid file can be opened in NMR analysis software such as MNOVA. All other files are included as .xls, and can be opened using using a spreadsheet editor such as Microsoft Excel. Are there multiple versions of the dataset? N -------------------------- METHODOLOGICAL INFORMATION -------------------------- Description of methods used for collection, generation, and processing of data: 1H NMR and 13C NMR spectra were obtained from Bruker Advance III HD 400MHz Spectrometer and Bruker Advance III HD 500MHz. Molar mass of polymers were estimated using a size exclusion chromatography (SEC) with trichlorobenzene containing 0.02 wt% butylated hydroxytoluene (BHT) as inhibitor (1 mL.min-1 at 135 °C) using an Agilent PL-GPC 220 equipped with three PL-Gel Mixed B columns, integrated RI detector, and Wyatt DAWN HELEOS II LS detector was used. Fourier transform infrared (FTIR) spectra were obtained using a Bruker Alpha Platinum ATR-FTIR instrument with a diamond single bounce crystal. Differential scanning calorimetry (DSC) was recorded on a TA Instruments Q-1000 DSC using hermetically sealed aluminum Tzero pans under nitrogen with heating and cooling rate of 10 °C/min. Thermogravimetric analysis (TGA) was recorded on a TA Instruments Q500 under nitrogen atmosphere at a heating rate of 10 °C.min-1. WAXS experiments were performed at the Sector 5 of the Advanced Photon Source at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) at Argonne National Laboratory and Brookhaven National Laboratory. Mechanical properties were recorded using Shimadzu Autograph AGS-X Tensile Tester. Water vapor permeability of the films was measured according to ASTM E96. The final product (1.5 g) was placed into a Wabash Hot Press at 200 °C for 1 min under 1 ton and then for 50 min under 14 tons to make the films. The sample was then cooled and cut to fit the diameters of 60 mL jars. The 60 mL jars were filled with calcium chloride after drying in the oven at 120 °C overnight. Epoxy glue was then added to the rim of the jars, and the film samples were placed directly on top of the jars. A humidity chamber was created by adding water and magnesium nitrate to the bottom of a desiccator until the solution was supersaturated and a relative humidity of 50% was achieved. The samples were then weighed before placing them into the chamber. The samples were then weighed every two days for an average of 50 days. Matrix assisted laser desorption ionization time-of-flight (MALDI-TOF) was performed on an Applied Biosystems-Sciex 5800 MALDI-TOF/TOF Mass Spectrometer. 0.5 μl of the polymer solution (2 mg/ml in THF) and 1 μL of the trans-2-[3-(4-tertbutylphenyl)-2-methyl-2-propenylidene]malononitrile (DCTB) : Cu(NO3)2 matrix (20 mg DCTB to 0.1 mg Cu(NO3)2 in 1 mL tetrahydrofuran (THF)) were deposited on MALDI plate. The MALDI-TOF spectra were taken with the reflector positive acquisition method and the reflector default processing method. Transient extensional viscosities were collected using a TA Instruments ARES rheometer under nitrogen flow using an extensional viscosity fixture for 10 mm × 15 mm × 0.5 mm rectangular samples. The measurements were performed at temperature of 270 °C and Henky strain rates from 0.1 to 10 s-1. People involved with sample collection, processing, analysis and/or submission: Marc A. Hillmyer - analysis of data. Yoon-Jung Jang - collection, processing and analysis of all data. Sam Nguyen - collection, processing and analysis of TGA and water vapor permeability data ------------------- DATA TREE ------------------- C:. │ Readme.txt │ ├───Chemdraw │ Scheme 1.cdxml │ Scheme1.jpg │ Scheme2.cdxml │ Scheme2.jpg │ ├───Raw Differential Scanning Calorimetry Data │ HDPE.xls │ PE-16k-111k.xls │ PE-16k.xls │ PE-2k-93k.xls │ PE-2k.xls │ PE-9k-101k.xls │ PE-9k.xls │ PPDL.xls │ ├───Raw Extensional Rheology Data │ Branch.xlsx │ Linear.xlsx │ ├───Raw Infrared Specta │ PCOE_COEtoCTA10.xlsx │ PE_COEtoCTA10.xlsx │ ├───Raw Matrix Assisted Laser Desorption Ionization │ PE-2k_MALDI.xlsx │ ├───Raw Nulear Magnetic Resonance Spectroscopy Data │ ├───B-PE12k-41k_CNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ cpdprg2 │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───B-PE12k-41k_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───CTA_CNMR │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ cpdprg2 │ │ │ fid │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ prosol_History │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ stanprogram25617 │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ outd │ │ proc │ │ procs │ │ title │ │ │ ├───CTA_HNMR │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ prosol_History │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ stanprogram25617 │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ outd │ │ proc │ │ procs │ │ title │ │ │ ├───PCOE-14k_HNMR │ │ └───10 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ prosol_History │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ stanprogram3351 │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ outd │ │ proc │ │ procs │ │ title │ │ │ ├───PCOE-2k_CNMR │ │ └───10 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ cpdprg2 │ │ │ fid │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ prosol_History │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ stanprogram16742 │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ outd │ │ proc │ │ procs │ │ title │ │ │ ├───PCOE-2k_HNMR │ │ └───10 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ prosol_History │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ stanprogram11263 │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ outd │ │ proc │ │ procs │ │ title │ │ │ ├───PCOE-2k_intoluene_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PCOE-6k_HNMR │ │ └───10 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ prosol_History │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ stanprogram11263 │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ outd │ │ proc │ │ procs │ │ title │ │ │ ├───PE-16k_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PE-2k_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PE-9k-101k_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PE-9k_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PE16k-111k_HNMR │ │ └───1 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PE2k-93k_CNMR │ │ └───2 │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ cpdprg2 │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ ├───PE2k-93k_HNMR │ │ │ acqu │ │ │ acqus │ │ │ audita.txt │ │ │ fid │ │ │ format.ased │ │ │ format.temp │ │ │ fq1list │ │ │ precom.output │ │ │ pulseprogram │ │ │ scon2 │ │ │ shimvalues │ │ │ specpar │ │ │ uxnmr.info │ │ │ uxnmr.par │ │ │ vtc_pid_settings │ │ │ │ │ └───pdata │ │ └───1 │ │ 1i │ │ 1r │ │ auditp.txt │ │ outd │ │ proc │ │ procs │ │ thumb.png │ │ title │ │ │ └───PE2k_CNMR │ └───1 │ │ acqu │ │ acqus │ │ audita.txt │ │ cpdprg2 │ │ fid │ │ format.ased │ │ format.temp │ │ fq1list │ │ precom.output │ │ pulseprogram │ │ scon2 │ │ shimvalues │ │ specpar │ │ uxnmr.info │ │ uxnmr.par │ │ vtc_pid_settings │ │ │ └───pdata │ └───1 │ 1i │ 1r │ auditp.txt │ outd │ proc │ procs │ thumb.png │ title │ ├───Raw Size-Exclusion Chromatography Traces │ SEC_B-PE12k-41k.xlsx │ SEC_PE-16k.csv │ SEC_PE-2k.xlsx │ SEC_PE-9k.xlsx │ SEC_PE-9k_new column.xlsx │ SEC_PE16k-111k.xlsx │ SEC_PE2k-93k.xlsx │ SEC_PE9k-101k.xlsx │ SEC_PE9k-101k_new column.xlsx │ SEC_Recycled PE9k-108k_new column.xlsx │ SEC_recycled PE9k_new column.xlsx │ ├───Raw Small Angle X-Ray Scattering Data │ SAXS_B-PE12k-41k.xlsx │ SAXS_HDPE.xlsx │ SAXS_PE-16k.xlsx │ SAXS_PE-2k.xlsx │ SAXS_PE-9k.xlsx │ SAXS_PE16k_111k.xlsx │ SAXS_PE2k-93k.xlsx │ SAXS_PE9k_101k.xlsx │ SAXS_PPDL.xlsx │ ├───Raw Tensile Data │ Tensile_B-PE12k-41k.csv │ Tensile_HDPE.xlsx │ Tensile_LDPE.csv │ Tensile_PE16k-111k.xlsx │ Tensile_PE2k-93k.xlsx │ Tensile_PE9k-101k.xlsx │ Tensile_PPDL.xlsx │ ├───Raw Thermogravimetric Analysis │ TGA_HDPE.xlsx │ TGA_PE-16k.xlsx │ TGA_PE-2k.xlsx │ TGA_PE-9k.xlsx │ TGA_PE16k-111k.xlsx │ TGA_PE2k-93k.xlsx │ TGA_PE9k-101k.xlsx │ TGA_PPDL.xlsx │ ├───Raw Water Vapor Permeability Data │ WVP_0.9.xlsx │ WVP_2.6.xlsx │ WVP_8.4.xlsx │ WVP_HDPE.xlsx │ WVP_PPDL.xlsx │ └───Raw Wide Angle X-Ray Scattering Data WAXS_B-PE12k-41k.xlsx WAXS_HDPE.xlsx WAXS_PE-16k.xlsx WAXS_PE-2k.xlsx WAXS_PE-9k.xlsx WAXS_PE16k-111k.xlsx WAXS_PE2k-93k.xlsx WAXS_PE9k-101k.xlsx WAXS_PPDL.xlsx