This readme.txt file was generated on 2024-02-29 Recommended citation for the data:Hillmyer, Marc A; Dingwell, Claire. (2024). Supporting data for Regio- and stereoregular EVOH Copolymers from ROMP as Designer Barrier Materials. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/qhy9-7196. ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Supporting data for Regio- and stereoregular EVOH Copolymers from ROMP as Designer Barrier Materials 2. Author Information Author Contact: Marc Hillmyer (hillmyer@umn.edu) Name: Claire Dingwell Institution: University of Minnesota Email: dingw045@umn.edu ORCID: https://orcid.org/0000-0001-8649-8185 Name: Marc Hillmyer Institution: University of Minnesota Email: hillmyer@umn.edu ORCID: https://orcid.org/0000-0001-8255-3853 3. Date published or finalized for release: 2024-02-29 4. Date of data collection (single date, range, approximate date): 2021-02-01 - 2022-10-01 5. Geographic location of data collection: All data except barrier data and most WAXS data: University of Minnesota, Minneapolis MN WAXS Data: Argonne National Laboratory, DuPage County, IL Barrier data: Center for Flexible Packaging: Clemson University, Clemson SC 6. Information about funding sources that supported the collection of the data: This research was supported partially by the DOW Chemical Company. 7. Overview of the data (abstract): This work aimed to decrease the water permeability (PH2O), while simultaneously maintaining low oxygen permeability (PO2) in ethylene vinyl alcohol (EVOH) based copolymers by introducing high levels of backbone regioregularity and stereoregularity. Both regioregular atactic and isotactic EVOH samples with 75 mol% ethylene were prepared by a ring-opening metathesis polymerization (ROMP)-hydrogenation-deprotection approach and then compared to commercial EVOH(44) (containing 44 mol% ethylene) as a low PO2 standard with poor water barrier characteristics (i.e., high PH2O). The high levels of regioregularity andstereoregularity in these copolymers increased melting temperature (Tm), degree of crystallinity (χc), and glass transition temperature (Tg) compared to less regular structures. EVOH(44) demonstrated the highest Tm, but lower χc and Tg values as compared to the ROMP derived polymers. Wide-angle X-ray scattering showed that semi-crystalline EVOH(44) exhibited a monoclinic structure characteristic of commercial materials, while ROMP-derived polymers displayed an intermediate structure between monoclinic and orthorhombic. Tensile testing showed that isotacticity resulted in brittle mechanical behavior, while the atactic and commercial EVOH(44) samples had higher tensile toughness values. Although EVOH(44) had the lowest PO2 of the samples explored, the atactic and tough ROMP-derived polymer approached this value of PO2 while having a PH2O over 3 times lower than commercial EVOH(44). -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 1.0 Universal 2. Links to publications that cite or use the data: ACS Polymers Au 3. Was data derived from another source? If yes, list source(s): Dingwell, C. E. and Hillmyer, M.A. Regiospecific Poly(ethylene-co-vinyl alcohol) by ROMP of 3-Acetoxycyclooctene and Postpolymerization Modification for Barrier Material Applications. ACS Appl. Polym. Mater. 2023, 5, 3, 1828–1836. 4. Additional related data collected that was not included in the current data package: POM data was collected, but the videos made are located directly in the supporting information of the paper. Data shown in the supporting information document is not given here. 5. Are there multiple versions of the dataset? No 6. 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/drum/policies/#terms-of-use --------------------- DATA & FILE OVERVIEW --------------------- File List: Filename: Raw_Data.zip Description: Includes WAXS,SEC, TGA, Tensile, DSC, and Barrier Data; and Chemdraw images Filename: Archival_Raw_Data.zip Description: Same as Raw_Data, exlcuding images; .xlsx converted to .csv for preservation Filename: README.txt Description: Documentation of raw data Abbreviation Descriptions and data files organization: General Notes: File names use the naming conventions from the paper and are listed in folders by Figure or Table number. PH3OHCOE-59 - hydrogenated poly(3-hydroxycyclooctene), 59 kg/mol PH(R)OHCOE-58 - hydrogenated poly(3(R)-hydroxycylooctene), 58 kg/mol EVOH-44-28 - ethylene vinyl alcohol with 44 mol % ethylene, 28 kg/mol Wide angle X-ray Scattering - WAXS Size Exclusion Chromatography - SEC Thermogravimetric Analysis - TGA Differential Scanning Calorimetry - DSC Files Contained: Files are sorted by Analysis Type and Figure/Table. WAXS Data - The raw data is in .xlsx files to be opened in Excel for the 1D spectra. q (inverse angstroms) values vs intensity (a.u.) are given for all three files. SEC data - The raw data is in .xlxs Excel format for each polymer. Data shows retention time (min) vs. RI signal for each sample. Chemdraw data includes a .jpg and a raw Chemdraw file for the paper. All chemdraw figures were drawn in one file for this manuscript. TGA data - The raw data is in .xlsx Excel format. Data shows the time (min) and mass loss (%) in each file. Tensile data - The raw data is shown in .csv files and include instrument data collected for each sample in the complete set. DSC - The raw data is given in .xls files. Each sheet represents the step in the sequence, where ramp steps show the rate of heating or cooling. The time, temperature, and heat flow are given in each column. Barrier Data - Barrier data is given in .pdf files from Clemson University, with data not featured in this paper redacted. -------------------------- METHODOLOGICAL INFORMATION -------------------------- Description of methods used for collection, generation, and processing of data: Experimental methods are described in the supporting information word document for Supporting data for Regio- and stereoregular EVOH Copolymers from ROMP as Designer Barrier Materials. People involved with sample collection, processing, analysis and/or submission: Claire Dingwell: All data collection, processing, analysis, and submission except WAXS and barrier data collection. Victor Young and Daniel Krajovic: WAXS data collection and processing. Donald Massey: Oxygen and water vapor barrier data collection and processing. Marc Hillmyer: Data analysis and submission. ------------------------- DATA TREE ------------------------- Raw Data Files.zip +---Barrier - Figure 4 | OTR Data - EVOH, PH3, PH3R.pdf | OTR Data - PH5.pdf | WVTR Data.pdf | +---Chemdraw | Figure 1 Chemdraw.cdxml | Figure 1 Chemdraw.jpg | TOC Image Chemdraw.cdxml | TOC Image Chemdraw.png | +---DSC - Figure 2 | EVOH-44.xls | PH(R)3OHCOE-58.xls | PH3OHCOE-59.xls | PH5OHCOE-78.xls | +---SEC - Figure 1 | EVOH-44.xlsx | PH(R)3OHCOE-58.xlsx | PH3OHCOE-59.xlsx | PH5OHCOE-78.xlsx | +---Tensile Testing - Table 1 | EVOH-44.csv | PH(R)3OHCOE-58.csv | PH3OHCOE-59.csv | PH5OHCOE.csv | +---TGA - Table 1 | EVOH-44.xlsx | PH(R)3OHCOE-58.xlsx | PH3OHCOE-59.xlsx | PH5OHCOE-78.xlsx | \---WAXS - Figure 3 EVOH-44.xlsx PH(R)3OHCOE-58.xlsx PH3OHCOE-59.xlsx