Data from: Monitoring depolymerization in mesopores using dynamic properties of polymeric melt accessed via dielectric spectroscopy
Data files
May 04, 2026 version files 160.98 KB
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DryadUpload_ACSMacromolecules_ma-2025-01457b.zip
148.93 KB
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README.md
12.05 KB
Abstract
This dataset supports the ACS Macromolecules article 'Monitoring depolymerization in mesopores using dynamic properties of polymeric melt accessed via dielectric spectroscopy' by Venkatesh et al (Macromolecules 2025). The article details how timescales extracted from the relaxation spectra of polymer chains undergoing scission inside nanopores can serve as measures of the progress of intra-pore scission reactions. This holds promise in estimating the kinetics of upcycling schemes inside pores and detailing how pore geometry and surface nature can control reaction rates. The raw spectra published in the SI and the main text have been provided in this data set along with a code to extract the relaxation timescales. Data for thermogravimetry for two different polymers match their intra-pore scission rates as measured by this technique and have also been included.
This README.txt file was generated by R Bharath Venkatesh
GENERAL INFORMATION
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Title of Dataset: Data Supporting the ACS Macromolecules Article - Monitoring depolymerization in mesopores using dynamic properties of polymeric melt accessed via dielectric spectroscopy
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Author Information
A. Principal Investigator Contact Information
Name: Rachel Segalman
Institution: University of California Santa Barbara
Address: UC Santa Barbara, Santa Barbara, California 93106
Email: segalman@ucsb.eduB. Associate or Co-investigator Contact Information
Name: R Bharath Venkatesh
Institution: University of California Santa Barbara
Address: UC Santa Barbara, Santa Barbara, California 93106
Email: rbharath@ucsb.eduC. Associate or Co-investigator Contact Information
Name: Jonathan Bingaman
Institution: University of California Santa Barbara
Address: UC Santa Barbara, Santa Barbara, California 93106
Email: jbingaman@ucsb.eduD. Associate or Co-investigator Contact Information
Name: Susannah Scott
Institution: University of California Santa Barbara
Address: UC Santa Barbara, Santa Barbara, California 93106
Email: sscott@ucsb.eduE. Associate or Co-investigator Contact Information
Name: Lynn Walker
Institution: University of Minnesota Twin Cities
Address: University of Minnesota, Minneapolis, Minneapolis 55455
Email: lmwalker@umn.edu -
Date of data collection (single date, range, approximate date) : 2023-07-01 to 2024-12-01
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Geographic location of data collection : Santa Barbara
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Information about funding sources that supported the collection of the data: We gratefully acknowledge funding support from the Department of Energy Office of Basic Energy Sciences (DE-SC0022294). This research used polymer property characterization and thermal property measurement facilities in the Materials Research Laboratory at UC Santa Barbara supported by the MRSEC Program of the NSF under Award No. DMR 2308708; a member of the NSF-funded Materials Research Facilities Network (www.mrfn.org).
SHARING/ACCESS INFORMATION
- Licenses/restrictions placed on the data: All raw data used in the figures and the raw spectra along with associated codes for processing are freely available to the public
- Links to publications that cite or use the data: N/A
- Links to other publicly accessible locations of the data: N/A
- Links/relationships to ancillary data sets: N/A
- Was data derived from another source? yes/no
A. If yes, list source(s): no - Recommended citation for this dataset: N/A
DATA & FILE OVERVIEW
- Main folder: DryadUpload_ACSMacromolecules_ma-2025-01457b.zip
- File List:
Under Main Text Folder - Figure 2a.csv, Figure 2b.csv, Figure 3b.csv, Figure 3c.csv, Figure 4.csv
Under Supplementary Information Folder - Figure S2.csv, Figure S3a.csv, Figure S3b.csv, Figure S3c.csv, Figure S4.csv, Figure S5a.csv, Figure S5b.csv, Figure S6a.csv, Figure S6b.csv, Figure S7.csv, Figure S8.csv, Figure S9.csv, Figure S10.csv,
Under Codes - BDS_analysis.m - Relationship between files, if important: N/A
- Additional related data collected that was not included in the current data package: N/A
- Are there multiple versions of the dataset? no
A. If yes, name of file(s) that was updated:
i. Why was the file updated?
ii. When was the file updated?
METHODOLOGICAL INFORMATION
- Description of methods used for collection/generation of data:
Please refer to supporting information document for methodology of data generation and collection. - Methods for processing the data:
Please refer to supporting information document for methodology of data processing. - Instrument- or software-specific information needed to interpret the data:
All NMR data were processed using MestReNova (Version: 14.3.1-31739). All figure plots in the manuscript and the supporting information were plotted either using Igor Pro 8 (Version: 8.04, Build 34722) or using MATLAB (Version: R2024). - Standards and calibration information, if appropriate: N/A
- Environmental/experimental conditions: N/A
- Describe any quality-assurance procedures performed on the data: N/A
- People involved with sample collection, processing, analysis and/or submission: All the authors
DATA-SPECIFIC INFORMATION FOR: Figure 2a.csv
- Number of variables: 2
- Number of cases/rows: 10
- Variable List:
Frequency (in Hertz), eps'' (Imaginary part of dielectric constant - symbols), eps_HN'' (Fit of the Havriliak-Nagami model to the Imaginary part of dielectric constant - dashed) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure 2b.csv
- Number of variables: 2
- Number of cases/rows: 3
- Variable List:
Reaction Duration (in seconds), Tau_seg at 319 K (extracted dipolar relaxation time in seconds), associated error bar - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure 3b.csv
- Number of variables: 2
- Number of cases/rows: 4
- Variable List:
Time (in minutes), Number of scission events for PPC-10k (*1000 moles), Time (in minutes), Number of scission events for PPC-100k (*1000 moles) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure 3c.csv
- Number of variables: 2
- Number of cases/rows: 6
- Variable List:
Reaction Duration (in seconds), tau_seg at 319 K (extracted dipolar relaxation time in seconds), associated error bars for PPC-10k and PPC-100k - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure 4.csv
- Number of variables: 2
- Number of cases/rows: 4
- Variable List:
Reaction Duration (in seconds), tau_seg at 319 K (extracted dipolar relaxation time in seconds), associated error bars for PPC-100k, calculated relaxation time at 319 K using Fox-Flory model with averaged molecular weight extracted by GPC trace of reaction products (in seconds) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S2.csv
- Number of variables: 2
- Number of cases/rows: 8
- Variable List:
Molecular weight (in g/mol), Normalized intensity of GPC trace for PPC-100k after decomposition for indicated amount of time (in minutes) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S3a.csv
- Number of variables: 3
- Number of cases/rows: 11
- Variable List:
Frequency (in Hertz), eps' (real part of dielectric spectrum, left y-axis), eps'' (imaginary part of dielectric spectrum, right y-axis) for five temperatures from 319-334 K for bulk Poly (propylene carbonate) Mw = 100 kg/mol - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S3b.csv
- Number of variables: 2
- Number of cases/rows: 6
- Variable List:
Frequency (in Hertz), eps'' (imaginary part of dielectric spectrum, right y-axis) for five temperatures from 319-334 K for Bulk Poly (propylene carbonate) Mw = 100 kg/mol and confined in 100 nm Anodic Aluminum Oxide nanopores - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S3c.csv
- Number of variables: 2
- Number of cases/rows: 3
- Variable List:
Temperature (in Kelvin), tau_seg (extracted dipolar relaxation time) for Bulk Poly propylene carbonate Mw = 100 kg/mol and confined in 100 nm Anodic Aluminum Oxide nanopores - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S4.csv
- Number of variables: 2
- Number of cases/rows: 3
- Variable List:
Temperature (in Kelvin), tau_seg (extracted dipolar relaxation time) for Bulk Poly propylene carbonate Mw = 100 kg/mol and confined in 100 nm Anodic Aluminum Oxide nanopores - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S5a.csv
- Number of variables: 2
- Number of cases/rows: 7
- Variable List:
Frequency (in Hertz), eps'' (imaginary part of dielectric spectrum, y-axis) at 327 K for Poly (propylene carbonate) Mw = 100 kg/mol confined in 100 nm Anodic Aluminum Oxide nanopores for polymer decomposed for different durations 0 - 180 s - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S5b.csv
- Number of variables: 2
- Number of cases/rows: 10
- Variable List:
Temperature (in Kelvin), tau_seg (extracted dipolar relaxation time) for Bulk Poly propylene carbonate Mw = 100 kg/mol and confined in 100 nm Anodic Aluminum Oxide nanopores at different duration of scission of 0 - 180 s, associated error bars - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S6a.csv
- Number of variables: 2
- Number of cases/rows: 7
- Variable List:
Frequency (in Hertz), eps'' (imaginary part of dielectric spectrum, y-axis) at 327 K for Poly (propylene carbonate) Mw = 10 kg/mol confined in 100 nm Anodic Aluminum Oxide nanopores for polymer decomposed for different durations 0 - 30 s - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S6b.csv
- Number of variables: 2
- Number of cases/rows: 10
- Variable List:
Temperature (in Kelvin), tau_seg (extracted dipolar relaxation time) for Bulk Poly propylene carbonate Mw = 10 kg/mol and confined in 100 nm Anodic Aluminum Oxide nanopores at different duration of scission of 0 - 30 s, associated error bars - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S7.csv
- Number of variables: 2
- Number of cases/rows: 2
- Variable List:
Frequency (in Hertz), eps'' (imaginary part of dielectric spectrum, y-axis) at 327 K for Poly (propylene carbonate) Mw = 100 kg/mol confined in 100 nm Anodic Aluminum Oxide nanopores - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S8.csv
- Number of variables: 2
- Number of cases/rows: 3
- Variable List:
Reaction Duration (in seconds), measured glass transition temperature using Differential Scanning Calorimetry (in Kelvin), calculated glass transition temperature using measured relaxation time by dielectric spectroscopy (in Kelvin) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S9.csv
- Number of variables: 2
- Number of cases/rows: 4
- Variable List:
Time (in minutes), Number of scission events for PPC-10k (*1000 moles), Time (in minutes), Number of scission events for PPC-100k (*1000 moles) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
DATA-SPECIFIC INFORMATION FOR: Figure S10.csv
- Number of variables: 2
- Number of cases/rows: 4
- Variable List:
Time (in minutes), Normalized weight for PPC-10k (*1000 moles), Time (in minutes), Normalized weight for PPC-100k (*1000 moles) - Missing data codes: N/A
- Specialized formats or other abbreviations used: N/A
MATLAB code for processing BDS data - BDS_analysis.m file: This MATLAB function processes impedance spectroscopy data to compute complex permittivity (real & imaginary parts) and then fits the loss spectrum using Havriliak–Negami (HN) relaxation models to extract relaxation timescales (g_tau1, g_tau2) and best-fit parameters.
