Source data of "Fractionated degradation and valorization of polypropylene waste into sulfonate surfactants"

Zhen, Xu; Yang, Zhang; Tao, Wang; Rong, Yang; Hao, Sun; Meiling, Chen; Feng, Liu; Jianjun, Xu; Kai-Jie, Chen; Qikun, Zhang; Fuping, Pan

doi:10.5281/zenodo.17390376

Published October 19, 2025 | Version v2

Dataset Open

Source data of "Fractionated degradation and valorization of polypropylene waste into sulfonate surfactants"

1. Northwestern Polytechnical University
2. Tongji University
3. Dongbei University of Finance and Economics
4. Shandong Normal University

GENERAL INFORMATION

1. Title of Dataset: Fractionated degradation and valorization of polypropylene waste into sulfonate surfactants

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DATA & FILE OVERVIEW

General Description:

The dataset includes structural characterizations (nuclear magnetic resonance; Figures 4a, Supplementary Figure 10, 22, 23c, 25a, 27); molar mass evaluation (atmospheric pressure chemical ionization mass spectroscopy; Supplementary Figure 9a, 15b. c, 23b; HT-GPC curves; Supplementary Figure 15a), chromatography results (Figure S6, S8), product carbon number distributions (Figure 1d, S9b. c), FTIR spectrum(Figure S25c), XPS spectrum(Figure S25d-g), TGA and DSC curves (Figure S16), PXRD (Figure S23a, S25b). UV-vis spectroscopy (Figure S31), Structure variations and Purity-Dependent study (Figure S22f. h) , performance of PP-derived surfactants (Figure 3c-e), sensitivity analysis (Figure 4d). Other data and figures, can be simply recovered based on Supplementary Tables and references in supplementary information and main text. For example, plots in figure 2 can be recovered using Supplementary Tables 1, 2, 7, 9, and 12.

1. File List:

1.PP-T0/T1/T2/ST/NT-5h, PP-T1/T2-1h carbon number distributions (Figure. 1d & 9bc.xlsx)

2.PP-derived surfactants performance (Figure 3c-e.xlsx)

3.Technoeconomic sensitivity analysis (Figure 5d.xlsx)

4.Pressure data (Supplementary Figure 5e.xlsx)

5.PP-T0/T1/T2-5h,PP-T1/T2-1h GC (Supplementary Figure 6 & 8.xlsx)

6.PP-T1/T2-1h, PP-T1/T2/ST/NT-5h APCI (Supplementary Figure 9.xlsx)

7.PP degradation at 360 and 400 ℃ APCI (Supplementary Figure 15a-c.xlsx)

8.TGA and DSC (Supplementary Figure 16.xlsx)

9.PP-T2/T2W1/T2W2/T2W3-5h Structure variations and Purity-Dependent Curves (Supplementary Figure 22f. h.xlsx)

10.solid residue PXRD (Supplementary Figure 23a.xlsx)

11.PP-STW-6h APCI (Supplementary Figure 23b.xlsx)

12.PXRD Supplementary Figure 25b.xlsx

13.PP-T2/T2-S and SLS FTIR (Supplementary Figure 25c).xlsx

14.SLS/PP-T2-S XPS spectrum (Supplementary Figure 25d-g).xlsx

15.PP-T1/T2-5h, SDBS UV-vis (Supplementary Figure 31.xlsx)

16.PP-T2-S HMBC (Figure 4a.monva)

17.PP-T2-5h, -T1-5h, -ST-5h HMBC (Supplementary Figure 10 and 22e.monva)

18.PP-T2/T2W1/T2W2/T2W3-5h 13C NMR (Supplementary Figure 22e. g.monva)

19.PP-STW-6h HMBC (Supplementary Figure 23c.monva)

20.Evolution of sulfonated product structures (Supplementary Figure 25a.monva)

21.PP-T1-5h-S, PP-STW-6h-S HT-HMBC (Supplementary Figure 27.monva)

2. Relationship between files, if important: None

3. Additional related data collected that was not included in the current data package: Yields, distribution analysis, Elemental concentrations, technoeconomic analysis source data, and life-cycle analysis source data are tabulated in Supplementary Information.

4. Are there multiple versions of the dataset? No

A. If yes, name of file(s) that was updated: NA

i. Why was the file updated? NA

ii. When was the file updated? NA

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DATA-SPECIFIC INFORMATION FOR: 1. Figure 1d.xlsx and Figure S9b.c.xlsx

1. Number of variables: 2

2. Variable List:

*time (min): carbon number determined by GC or APCI-MS

*intensity: weight fractions

3. abbrevations:

PP-T0-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃.

PP-T1-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃.

PP-T2-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃

PP-ST-5h: Product carbon number distributions for single-fraction, after 5-h degradation at 400℃.

PP-NT-5h: Product carbon number distributions for none-fraction, after 5-h degradation at 400℃.

PP-T1-1h:Product carbon number distributions for three-fraction, after 1-h degradation at 400℃

PP-T2-1h:Product carbon number distributions for three-fraction, after 1-h degradation at 400℃

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DATA-SPECIFIC INFORMATION FOR: 2. Figure 3c-e.xlsx

1. Number of variables: 4

2. Variable List:

*time (min): Elution time from gas chromatography

*foaming height (cm): foaming height determined using standardized method (Figure 3c)

*detergency (arbi. unit): detergency determined using standardized method (Figure 3d)

*Ct/C0: relative concentrations measured using UV-vis in Figrue 31 (Figure 3e)

3. abbrevations:

PP-T1-S: The PP-T1-5h sample underwent sulfonation to yield

PP-T2-S: The PP-T2-5h sample underwent sulfonation to yield

PP-TW-S: The PP-TW-5h sample underwent sulfonation to yield

SLS: Sodium lauryl sulfate

SDBS: Sodium dodecylbenzenesulfonate

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DATA-SPECIFIC INFORMATION FOR: 3. Figure 5d.xlsx

1. Number of variables: 3

2. Variable List:

*Percentage changed (%): market change

*pay back period (y): year

*internal rate of return: internal rate of return

3. abbrevations:

N/A

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DATA-SPECIFIC INFORMATION FOR: 4. Supplementary Figure 5e.xlsx

1. Number of variables: 2

2. Variable List:

*time (h): time

*pressure (kPa): pressure in the reactor

3. abbrevations:

N/A

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DATA-SPECIFIC INFORMATION FOR: 5. Supplementary Figure 6 & 8.xlsx

1. Number of variables: 2

2. Variable List:

*time (min): Elution time from gas chromatography

*intensity: Detector intensity from gas chromatography

3. abbrevations:

PP-T0-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃.

PP-T1-1h:Product carbon number distributions for three-fraction, after 1-h degradation at 400℃

PP-T1-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃.

PP-T2-1h:Product carbon number distributions for three-fraction, after 1-h degradation at 400℃

PP-T2-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃

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DATA-SPECIFIC INFORMATION FOR: 6.Supplementary Figure 9.xlsx

1. Number of variables: 2

2. Variable List:

*m/z: ratio of mass and charge number

*intensity: Detector intensity from mass spectroscopy

3. abbrevations:

APCI-MS: atmospheric pressure chemical ionization mass spectroscopy

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DATA-SPECIFIC INFORMATION FOR: 7.Supplementary Figure 15a-c.xlsx

1. Number of variables: 4

2. Variable List:

*time (min): Elution time from HP-GPC

*intensity: Detector intensity from HP-GPC

*m/z: ratio of mass and charge number on APCI-MS

*intensity: Detector intensity from APCI-MS

3. abbrevations:

HP-GPC: High temperature gel permeation chromatography

APCI-MS: atmospheric pressure chemical ionization mass spectroscopy

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DATA-SPECIFIC INFORMATION FOR: 8.Supplementary Figure 16.xlsx

1. Number of variables: 3

2. Variable List:

*Temperature (C): time

*time (min): time

*weight (%) or mass (%): percentage of remianing weight or mass

*DSC (uV/mg): DSC energy flow

3. Abbrevations:

DSC: Differential scanning calorimeters

TGA: Thermogravimetric analysis

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DATA-SPECIFIC INFORMATION FOR: 9.Supplementary Figure 22f. h.xlsx

1. Number of variables: 2

2. Variable List:

*sample name: name of degradation samples, the purities decrease from PP-T2 to PP-T2W3

*relative intensity: relative intensity of carbon over CDCl3 reference

3. Abbrevations:

PP-T2W1-5h: fractionated products from W1 using three-fraction reactors; after 5-h degradation at 400℃

PP-T2W2-5h:fractionated products from W2 using three-fraction reactors; after 5-h degradation at 400℃

PP-T2W3-5h:fractionated products from W3 using three-fraction reactors; after 5-h degradation at 400℃

PP-T2-5h: Product carbon number distributions for three-fraction, after 5-h degradation at 400℃

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DATA-SPECIFIC INFORMATION FOR: 10.Supplementary Figure 23a.xlsx

1. Number of variables: 2

2. Variable List:

*angle (degree):angles at which the X-rays are diffracted by the crystal lattice

*intensity: the strength or number of X-ray photons detected at a given angle

3. Abbrevations:

PXRD: Powder X-ray diffraction

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DATA-SPECIFIC INFORMATION FOR: 11.Supplementary Figure 23b.xlsx

1. Number of variables: 2

2. Variable List:

*m/z: ratio of mass and charge number

*intensity: Detector intensity from mass spectroscopy

3. abbrevations:

APCI-MS: atmospheric pressure chemical ionization mass spectroscopy

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DATA-SPECIFIC INFORMATION FOR: 12.Supplementary Figure 25b.xlsx

1. Number of variables: 2

2. Variable List:

*angle (degree):angles at which the X-rays are diffracted by the crystal lattice

*intensity: the strength or number of X-ray photons detected at a given angle

3. Abbrevations:

PXRD: Powder X-ray diffraction

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DATA-SPECIFIC INFORMATION FOR: 13.Supplementary Figure 25c.xlsx

1. Number of variables: 2

2. Variable List:

*wavenumber (/cm): wavenumber of a peak acts as a fingerprint for specific chemical bonds

*intensity: amount of infrared light absorbed by the sample at a specific energy

3. Abbrevations:

FTIR: Fourier Transform Infrared Spectroscopy

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DATA-SPECIFIC INFORMATION FOR: 14.Supplementary Figure 25d-g.xlsx

1. Number of variables: 2

2. Variable List:

*binding energy (eV): Binding energy of a peak identifies the element and its chemical state

*intensity: the number of photoelectrons detected at a given binding energy

3. Abbrevations:

XPS: X-ray photoelectron spectroscopy

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DATA-SPECIFIC INFORMATION FOR: 15.Supplementary Figure 31.xlsx

1. Number of variables: 2

2. Variable List:

*Wavelength (nm): the energy of the light passed through or absorbed by the sample

*intensity: ow much light is absorbed by the sample at a specific wavelength

3. Abbrevations:

UV-vis: UV-Vis Spectroscopy

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DATA-SPECIFIC INFORMATION FOR: 16.Figure 4a.monva

Experiment: HMBC

deuterated solvent: D2O

characterization parameters

relaxation time:2 s

size of fid F1: 400

Temperature: 50 C

scan number: 16

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DATA-SPECIFIC INFORMATION FOR: 17. Supplementary Figure 10 & S22b.monva

Experiment: HMBC

deuterated solvent: CDCl3

characterization parameters

relaxation time:2 s

size of fid F1: 400

Temperature: room temperature

scan number: 16

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DATA-SPECIFIC INFORMATION FOR: 18.Supplementary Figure 22e. g.monva

Experiment: C NMR

deuterated solvent: CDCl3

characterization parameters

relaxation time:2 s

Temperature: room temperature

scan number: 1024

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DATA-SPECIFIC INFORMATION FOR: 19.Supplementary Figure 23c.monva

Experiment: HMBC

deuterated solvent: CDCl3

characterization parameters

relaxation time:2 s

Temperature: room temperature

scan number: 16

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DATA-SPECIFIC INFORMATION FOR: 20.Supplementary Figure 25a.monva

Experiment: H NMR

deuterated solvent: CDCl3

characterization parameters

relaxation time:2 s

Temperature: room temperature

scan number: 16

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DATA-SPECIFIC INFORMATION FOR: 21.Supplementary Figure 27.monva

deuterated solvent: D2O

characterization parameters

relaxation time:2 s

size of fid F1: 400

Temperature:50℃

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## Sharing/Access information

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Data was derived from the following sources:

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## Code/Software

Excel and Mestrenova software are required to open the .xls and .mnova files, respectively.

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Additional details

Northwestern Polytechnical University
0652024GH0201287
Northwestern Polytechnical University
G2024KY05107
National Natural Science Foundation of China
Shanxi Science and Technology Department

Submitted: 2025-10-19

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Source data of "Fractionated degradation and valorization of polypropylene waste into sulfonate surfactants"

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