This README file was generated on 2026-01-29 by Pavlína Těšínská.
Last updated: 2026-03-19

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GENERAL INFORMATION
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### Title of Dataset
Fe(II)/CA vs. S-nZVI for Peroxydisulfate Activation: A Comparative Study on the Removal of Benzophenone-1 from Water Matrices - Experimental Dataset

### Identifier
DOI: 10.5281/zenodo.17569480

### Contact Information
     // Name: Těšínská, Pavlína
     // Institution: University of Chemistry and Technology, Prague, Czech Republic
     // Email: pavlina.tesinska@vscht.cz

This dataset contains the research data underlying the study on the degradation of benzophenone 1 (BP1) using nZVI-activated and dissolved Fe2+-activated peroxydisulfate (S2O82-). The study investigates kinetics of BP1 degradation under selected conditions (alternating molar ratios of [S2O82-]0/[Fe]0, influence of dissolved constituents including Cl-, NO3-, NO2-, HCO3-, HPO42- and humic acid), BP1 degradation in various matrices, as well as the extent of mineralization and TOC removal and radical speciation in ultrapure water. Morphological and structural nZVI changes were also evaluated.

### Creators
- Ing. Pavlína Těšínská; Department of Environmental Chemistry, University of Chemistry and Technology Prague, Technická 5, Prague 16628, Czech Republic; ORCID: 0009-0009-8900-3454; tesinskp@vscht.cz
- Ing. Lenka McGachy, Ph.D.; Department of Environmental Chemistry, University of Chemistry and Technology Prague, Technická 5, Prague 16628, Czech Republic; ORCID: 0000-0002-2251-1798; lenka.mc.gachy@vscht.cz 
- Ing. Radek Škarohlíd, Ph.D.; Department of Environmental Chemistry, University of Chemistry and Technology Prague, Technická 5, Prague 16628, Czech Republic; ORCID: 0000-0002-7854-0045; skarohlr@vscht.cz 
- Ing. Adam Loos; Department of Environmental Chemistry, University of Chemistry and Technology Prague, Technická 5, Prague 16628, Czech Republic; ORCID: 0009-0007-9519-7537; loosa@vscht.cz 

### Contributions
- Pavlína Těšínská (Data manager, Contact person, Data collector - kinetic experiments, HPLC, TOC)
- Lenka McGachy (Project leader)
- Radek Škarohlíd (Data collector - capillary electrophoresis)
- Adam Loos (Data collector - TOC)

### Data Collection
Data Collection took place at the Department of Environmental Chemistry, University of Chemistry and Technology Prague during the period of October 2023 to January 2026.

### Dataset Version
v1.0 – initial release

### File Inventory
`00_readme_V1.txt`
`01_dataset_nZVI.xlsx` | main dataset with set-ups of the individual kinetic batch experiments using S-nZVI as activator, reactors composition and measurements of all analytical procedures (concentrations of BP1, peroxydisulfate anions, sulphate anions, and pH, temperature and TOC measurements)
`01_dataset_Fe2+.xlsx` | main dataset with set-ups of the individual kinetic batch experiments using Fe(II)/CA as activator, reactors composition and measurements of all analytical procedures (concentrations of BP1, peroxydisulfate anions, sulphate anions, and pH, temperature and TOC measurements)
`02_XRD_A.pdf` | XRD measurements set-up and results for S-nZVI structure after 2-hour experiments in UPW ([S2O82-]0/[BP1]0 = 1200/1; [S2O82-]0/[S-nZVI]0 = 10/1)
`02_XRD_B.pdf` | XRD measurements set-up and results for S-nZVI structure after 2-hour experiments in UPW ([S2O82-]0/[BP1]0 = 1200/1; [S2O82-]0/[S-nZVI]0 = 10/1; [HCO3-] = 20 mmol·L-1)
`02_XRD_C.pdf` | XRD measurements set-up and results for S-nZVI structure after 2-hour exposure to UPW

### Experimental Methods
All details of used experimental methods are described thoroughly in the related publication (https://doi.org/10.1016/j.emcon.2026.100651) and its Supplementary Information (SI). Details of the methodology set-up of XRD analysis are on the first page of its file (02_XRD_number_.) Limits of detections are specified in the SI, but for clarity also included in the first sheets of each .xlsx file next to the particular data table.

### Data Format and Structure
Units are always noted in the appropriate column in the .xlsx or file of the main dataset. Each list within the .xlsx contains all the measurements for the particular experimental set-up, in duplicates or in triplicates.

### License
This dataset is made available under the Creative Commons Attribution No Derivatives 4.0 International License (CC BY-ND 4.0). You are free to share the material with appropriate credit.

### How to Cite
Tesinska et al. (2026). Fe(II)/CA vs. S-nZVI for Peroxydisulfate Activation: A Comparative Study on the Removal of Benzophenone-1 from Water Matrices - Experimental Dataset. v1.0. DOI: 10.5281/zenodo.17569480

### Related Publications
Fe(II)/CA vs. S-nZVI for Peroxydisulfate Activation: A Comparative Study on the Removal of Benzophenone-1 from Water Matrices (https://doi.org/10.1016/j.emcon.2026.100651)

### Funding and Acknowledgments
This research was financially supported by the Czech Science Foundation (Grant GA23-05901S).

### Limitations and Notes
Minor variations in pH and temperature may affect reproducibility. Different batches of S-nZVI were proved to have different densities, therefore the dosages must be adjusted according to the suspension's density. 

