This README file was updated on 20170512. ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset Supporting Data for “Renewable, Degradable, and Chemically Recyclable Cross-Linked Elastomers” 2. Author Information Principal Investigator Contact Information Name: Marc Hillmyer Institution: University of Minnesota Twin Cities Address: Department of Chemistry, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States Email: hillmyer@umn.edu Associate or Co-investigator Contact Information Name: Jacob P. Brutman Institution: University of Minnesota Twin Cities Address: Department of Chemistry, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States Email: brutm003@umn.edu Associate or Co-investigator Contact Information Name: Guilhem X. De Hoe Institution: University of Minnesota Twin Cities Address: Department of Chemistry, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States Email: dehoe001@umn.edu Associate or Co-investigator Contact Information Name: Deborah K. Schneiderman Institution: University of Minnesota Twin Cities Address: Department of Chemistry, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States Email: schne643@umn.edu Associate or Co-investigator Contact Information Name: Truyen N. Le Institution: University of Minnesota Twin Cities Address: Department of Chemistry, 207 Pleasant Street SE, Minneapolis, Minnesota 55455-0431, United States Email: lexxx468@umn.edu 3. Date of data collection (single date, range, approximate date): 2016 4. Information about funding sources that supported the collection of the data: The Center for Sustainable Polymers at the University of Minnesota, a National Science Foundation supported center for Chemical Innovation (Grant CHE-1413862). -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: None 2. Links to publications that cite or use the data: Renewable, Degradable, and Chemically Recyclable Cross-Linked Elastomers Jacob P. Brutman, Guilhem X. De Hoe, Deborah K. Schneiderman, Truyen N. Le, and Marc A. Hillmyer. Industrial & Engineering Chemistry Research 2016 55 (42), 11097-11106 https://dx.doi.org/10.1021/acs.iecr.6b02931 3. Links to other publicly accessible locations of the data: http://pubs.acs.org/doi/suppl/10.1021/acs.iecr.6b02931 4. Recommended citation for the data: Hillmyer, Marc A; Brutman, Jacob P; De Hoe, Guilhem X; Schneiderman, Deborah K; Le, Truyen, N. (2017). Supporting Data for “Renewable, Degradable, and Chemically Recyclable Cross-Linked Elastomers”. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/D6V599. --------------------- DATA & FILE OVERVIEW --------------------- Note: Abbreviations, experiments, and methods are referenced in the paper, Brutman et al. (2016). The folders and files follow a standard naming convention of lab notebook owner initials, lab notebook number, page number, experiment, and file extension (e.g. JPB 3-46-1.tri is lab notebook owner's initials Jake P Brutman) 1. Folder and File List Files: chemdraw_scheme1.cdx chemdraw_scheme1.jpeg - Short description: ChemDraw file depicting Synthesis of Cross-Linked PMVLs File: Degradation_Study.xlsx - Short description: Raw Degradation Study Data. Most important are the "Transposed RT" and "Transposed Heated" sheets. These contain the data that can be found in figure 4 of the paper. I marked pretty clearly what data corresponds to which lines in figures 4A and 4B. Folder: Raw_DMTA - Short description: Raw Dynamic mechanical thermal analysis (DMTA) data - Long Description: The folder is organized by material (CCPMVL - cyclic carbonate cross-linked PMVL (poly(β-methyl-δ-valerolactone)) and PCPMVL - peroxide cross-linked PMVL), then sample (e.g., 3-46-1). 3-46 uses different amounts of crosslinker, 3-51 uses different amounts of initiator, 3-71 uses varying peroxide, and 3-72 uses varying amount of silica filler. - Contents: 1. CCPMVL a. 3-46-1_DMTA.xls b. 3-46-2_DMTA.xls c. 3-46-3_DMTA.xls d. 3-46-4_DMTA.xls e. 3-46-5_DMTA.xls f. 3-51-1_DMTA.xls g. 3-51-2_DMTA.xls h. 3-51-3_DMTA.xls i. 3-51-4_DMTA.xls j. 3-51-5_DMTA.xls 2. PCPMVL a. JPB-3-71-1_DMTA.xls b. JPB-3-71-2_DMTA.xls c. JPB-3-71-3_DMTA.xls d. JPB-3-71-4_DMTA.xls e. JPB-3-71-5_DMTA.xls f. jpb-3-72-1_dmta.xls g. jpb-3-72-2_dmta.xls h. jpb-3-72-3_dmta.xls Folder: Raw_DSC
- Short description: Raw differential scanning calorimetry (DSC) data - Long Description: The folder is organized by material (CCPMVL - cyclic carbonate cross-linked PMVL and PCPMVL - peroxide cross-linked PMVL), then sample (3-46), then experiment (1, 2, 3, 4, 5). .TRI files are very raw data files that can be opened with TRIOS software, which is available for free from TA instruments. TRIOS can export to Excel. Note: Some data files may have been run twice and are noted with a (1) or (2). - Contents 1. CCPMVL a. 3-46 i. JPB-3-46-1.tri ii. JPB-3-46-2.tri iii. JPB-3-46-3.tri iv. JPB-3-46-3(1).tri v. JPB-3-46-3(2).tri vi. JPB-3-46-4.tri vii. JPB-3-46-5.tri b. 3-51 i. 3-51-1.tri ii. 3-51-2.tri iii. 3-51-3.tri iv. 3-51-4.tri v. 3-51-5.tri 2. PCPMVL a. 3-71 i. JPB-3-71-1.tri ii. JPB-3-71-2.tri iii. JPB-3-71-3.tri iv. JPB-3-71-4.tri v. JPB-3-71-5.tri b. 3-72 i. JPB-3-72-1.tri ii. JPB-3-72-2.tri iii. JPB-3-72-3.tri Folder: Raw_NMR
- Short description: Raw nuclear magnetic resonance (NMR) data - Long Description: The .txt files are intensity vs parts per million (universal NMR unit = ppm) (fid can be opened in any nuclear magnetic resonance (NMR) analysis software). The file “fid” is the one to use in the corresponding folders if one wants to work up the data in NMR analysis software. Details: Raw nuclear magnetic resonance data for 6CC (cyclic carbonate crosslinker), MVL (monomer), 3-73 (peroxide crosslinked that was depolymerized), 3-74 (depolymerized). - Contents: 1. 6CC_6-12-15 > 1 [folder name] i. pdata 1. 1 [folder name] a. 1i b. 1r c. auditp.txt d. outd e. proc f. procs g. thumb.png h. title ii. fid iii. format.temp iv. fq1list v. plist.inmr vi. pulseprogram vii. scon2 viii. shimvalues ix. specpar x. uxnmr.info xi. uxnmr.par 2. BMDVL_Distilled_RF_Box-CDCl3_8-23-15 a. 10 [folder name] i. pdata 1. 1 [folder name] a. outd b. proc c. procs d. Title 2. 700 [folder name] a. 1r b. auditp.txt c. outd d. proc e. Procs ii. acqu iii. acqus iv. audita.txt v. fid vi. format.temp vii. fq1list viii. plist.back ix. plist.inmr x. prosol_History xi. pulseprogram xii. scon2 xiii. shimvalues xiv. specpar xv. uxnmr.info xvi. uxnmr.par 3. JPB-3-73_depolym_PCPMVL_NewCDCl3 a. 10 [folder name] i. pdata 1. 1 [folder name] a. outd b. proc c. procs d. title ii. acqu iii. acqus iv. audita.txt v. fid vi. format.temp vii. fq1.list viii. plist.back ix. plist.inmr x. precom.output xi. prosol_History xii. pulseprogram xiii. scon2 xiv. shimvalues xv. specpar xvi. stanprogram5096 xvii. uxnmr.info xviii. uxnmr.par xix. vtc_pid_settings 4. JPB-3-74_depoly_CCPMVL_NewCDCl3_2 a. 20 i. pdata 1. 1 [folder name] a. outd b. proc c. procs d. title ii. acqu iii. acqus iv. audita.txt v. fid vi. format.temp vii. fq1.list viii. plist.back ix. plist.inmr x. precom.output xi. prosol_History xii. pulseprogram xiii. scon2 xiv. shimvalues xv. specpar xvi. stanprogram5096 xvii. uxnmr.info xviii. uxnmr.par xix. vtc_pid_settings 5. H-NMR_BMDVL_Distilled_RF_Box-CDCl3_8-23-15-10.txt 6. H-NMR-JPB-3-73_depolym_PCPMVL_NewCDCl3-10.txt 7. H-NMR-JPB-3-74_depolym_CCPMVL_NewCDCl3_2-20.txt File: Raw_SEC_3-69_SEC.CSV - Short description: Raw size-exclusion chromatography (SEC) data - Long Description: First column A is retention time (x), second column B is intensity (y). Folder: Raw_TensileData
- Short description: Raw Tensile Data - Long Description: Contains stress vs elongation data as well as modulus as calculated by the tensile data software and some other data as well. Numbers correspond to lab notebook number-page number-sample number. Increasing number usually means increasing amount of variable. For instance, 3-46 corresponds to increasing 6CC content, 3-51 to initiator content, 3-71 to peroxide content, and 3.72 to fumed silica content. Note: The hysteresis data is run with 20 cycles. Each different cycle is separated into a different table below the one above it. The farthest column to the right shows the cycle number - Contents: 1. CCPMVL a. 3-46_TT-Hysteresis i. hysteresis 1. 3-46-1_hysteresis.csv 2. 3-46-1_hysteresis.xslx 3. 3-46-1.jpg 4. 3-46-2_hysteresis.csv 5. 3-46-2_hysteresis.xslx 6. 3-46-2.jpg 7. 3-46-3_hysteresis.csv 8. 3-46-3_hysteresis.xslx 9. 3-46-3.jpg 10. 3-46-4_hysteresis.csv 11. 3-46-4_hysteresis.xslx 12. 3-46-4.jpg 13. 3-46-5_hysteresis.csv 14. 3-46-5_hysteresis.xslx 15. 3-46-5.jpg 16. rubber-bands_hysteresis_2-27-16.csv 17. rubber-band.xslx ii. 3-46_tensile.opj iii. 3-46-1 Tensile.jpg iv. 3-46-1_hyst.jpg v. 3-46-2_hyst.jpg vi. 3-46-3_hyst.jpg vii. 3-46-4_hyst.jpg viii. 3-46-5_hyst.jpg ix. 3-46_tensile.opj x. CC-2-100_patent.jpg xi. change in CC content - patent.jpg xii. rubberband-2.jpg xiii. rubberband.jpg b. 3-51_TT-Hysteresis i. hysteresis 1. 3-51-1_hysteresis.csv 2. 3-51-1_hysteresis.xslx 3. 3-51-2_hysteresis.csv 4. 3-51-2_hysteresis.xslx 5. 3-51-3_hysteresis.csv 6. 3-51-3_hysteresis.xslx 7. 3-51-4_hysteresis.csv 8. 3-51-4_hysteresis.xslx 9. 3-51-5_hysteresis.csv 10. 3-51-5_hysteresis.xslx 2. PCPMVL a. 3-71_tensile+hysteresis i. 10wtS_hyst.jpg ii. 20wtS_hyst.jpg iii. 3-71-1_hyst.jpg iv. 3-71-2_hyst.jpg v. 3-71-3_hyst.jpg vi. 3-71-4_hyst.jpg vii. 3-71-5_hyst.jpg viii. 3-71-tt.jpg ix. 3-71+72.opj x. 30wtS_hyst.jpg xi. change in BPO - patent.jpg xii. JPB-3-71-1-hyst-alldata.csv xiii. JPB-3-71-2-hyst-alldata.csv xiv. JPB-3-71-3-hyst-alldata.csv xv. JPB-3-71-4-hyst-alldata.csv xvi. PCPMVL_FumedSilica - patent.jpg xvii. PCPMVL_FumedSilica.jpg xviii. TOGgraph.jpg b. 3-72_tensile+hysteresis i. 3-72_hysteresis-1.csv ii. 3-72_hysteresis-2.csv Note: 3_72 has 3 samples. This experiment was set up in a "batch" process so all of the data for all three samples are in the same file(s). The amount of data was so massive, the program split it into two separate csv files. 3. Rubber band a. hysteresis_rubberband-1.csv b. hysteresis_rubberband-2.csv c. hysteresis_rubberband-3.csv d. hysteresis_rubberband-4.csv e. rubberband.csv Note: rubberband.csv is a raw data file for tensile testing a rubber band Folder: Raw_TGA
- Short description: Raw Thermogravimetric analysis (TGA) Data - Long Description: Samples being heated in the presence of air at 10 °C/min from room temperature to 550 °C. Primarily used 5% degradation level (5% weight loss) - upper stability temperature). For some, recorded weight left at end because silica was blended into the material & it shouldn’t burn (measuring percent incorporation of fumed silica) - Contents: 1. CCPMVL* a. JPB-3-51-4.001 b. JPB-3-51-5.001
*Files storing as audio but they’re binary (show up as .001 which should uncompress with 7Zip. You will need the TA advantage data analysis software to open these files. It is free of charge from TA instruments website. 2. PCPMVL a. JPB Fumed silica.001 b. JPB MVL Si 20 percent.001 c. JPB MVL Si 30 percent.001 d. JPB-3-71-1.001 e. JPB-3-71-2.001 f. JPB-3-71-3.001 g. JPB-3-71-4.001 h. JPB-3-71-5.001 File: workedup_CompiledDataForPBMDVLelastomers.xlsx Excel file contains tabulated data relevant to the article. Much of this is also in the published manuscript. Folder: workedup_origin.zip Short Description: Origin Project files for Degredation, DMTA, NMR, and Tensile data Long Description: Origin project file includes raw data, analysis, and graphs for the degradation study, the DMTA, NMR, and tensile tests. - Contents: workedup_degradation.opj workedup_DMTA.opj workedup_NMRdepolym.opj workedup_tensilepropertygraphs.opj 2. Relationship between files: Worked up files are essentially analyzed and graphed versions of the raw data files. 3. Additional related data collected that was not included in the current data package: None. 4. Are there multiple versions of the dataset? No -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: Refer to paper and/or supplements. 2. Methods for processing the data: Refer to paper and supplements. 3. Instrument- or software-specific information needed to interpret the data: Refer to paper and supplements. 4. Standards and calibration information, if appropriate: Refer to paper and supplements. 5. Environmental/experimental conditions: Refer to paper and supplements. 6. Describe any quality-assurance procedures performed on the data: Refer to paper and supplements. 7. People involved with sample collection, processing, analysis and/or submission: Jake Brutman (DMTA, DSC, NMR, SEC, tensile, some TGA) Guilhem De Hoe (degradation study, some TGA)