Data from: Towards sustainable urea electrooxidation: A thermodynamic and green chemistry evaluation of alternative pathways
Data files
Aug 05, 2025 version files 724.45 KB
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Figure_S1.png
146.65 KB
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Figure_S2.png
204.29 KB
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Figure_S3.png
200.02 KB
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Figure_S4.png
168.26 KB
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README.md
4.73 KB
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Table_S1.csv
351 B
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Table_S2.csv
155 B
Abstract
Electrochemical oxidation of urea is a promising pathway in sustainable hydrogen production, yet the efficiency and environmental impact of alternative reaction routes remain poorly characterized. This dataset compiles thermodynamic and green chemistry parameters for seven distinct urea electro-oxidation pathways under alkaline conditions. Standard enthalpy and entropy values for all reactants and products were calculated using literature thermochemical data (Table_S1.csv). Standard electrode potentials for five key half-reactions (5)–(9) were derived and compared with values reported in the literature (Table_S2.csv). In addition, four figures (Figure_S1–S4.png) visualize key comparative metrics across the pathways: open-circuit voltage (OCV), E-factor, entropy change (ΔS), and enthalpy change (ΔH). These data allow for cross-pathway benchmarking based on both energy and sustainability metrics. The dataset can be reused in studies involving green electrochemical synthesis, hydrogen energy systems, and lifecycle modeling of urea-involved energy processes.
Dataset DOI: 10.5061/dryad.b2rbnzssv
Description of the data and file structure
Title: Towards sustainable urea electrooxidation: a thermodynamic and green chemistry evaluation of alternative pathways
Author: V. S. Protsenko
Affiliation: Ukrainian State University of Science and Technologies, Dnipro, Ukraine
Contact: vprotsenko7@gmail.com
Dataset DOI: 10.5061/dryad.b2rbnzssv
Overview
This submission comprises two tabular files and four figure files documenting the thermodynamic and green‑chemistry parameters of seven urea electro‑oxidation pathways. Tables S1 and S2 (two CSV files) list, respectively, the literature thermochemical values (ΔH⁰f, S⁰) of all reagents and the calculated versus literature standard potentials (E⁰) for half‑reactions (5)–(9). Figures S1–S4 (four PNG files) graphically compare the open‑circuit voltage (OCV), E‑factor, entropy change (ΔS), and enthalpy change (ΔH) across the pathways. This dataset enables reuse for energy‑efficiency modeling and lifecycle analyses under alkaline conditions. All data are provided under a CC0 waiver; no human or animal subjects were involved. This dataset accompanies the article: Protsenko V. (2025) Towards sustainable urea electro-oxidation: a thermodynamic and green chemistry evaluation of alternative pathways. Royal Society Open Science, 12: 250156. https://doi.org/10.1098/rsos.250156
Files and variables
File structure
├── Table S1.csv
├── Table S2.csv
├── Figure S1.png
├── Figure S2.png
├── Figure S3.png
└── Figure S4.png
File: Table_S1.csv
Description: Thermodynamic data of the substances and ions involved in reactions under consideration. Open with support for Cyrillic characters if the display appears incorrect.
Variables
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Substance or ion: Chemical formula with physical state (e.g., "CO(NH2)2 (cr)": solid urea; "OH (aq)": hydroxide ion in solution).
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ΔH0f, 298 / kJ/mol: Standard enthalpy of formation at 298 K (kilojoules per mole).
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ΔS0298 / J/mol K: Standard molar entropy at 298 K (joules per mole per kelvin).
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Ref.: Reference index for literature source of thermodynamic values (see References below).
References:
[1] Ravdel A.A., Ponomareva A.M. Short reference book on physicochemical values, 10th ed. St. Petersburg: Ivan Fedorov, 2003.
[2] Lide D.R. CRC Handbook of Chemistry and Physics, 84th Edition, 2003-2004.
File: Table_S2.csv
Description: Comparison between the calculated standard potentials for half-reactions (5)–(9) and the corresponding values reported in literature. Open with support for Cyrillic characters if the display appears incorrect.
Variables
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Half-reaction from the main text: Reaction number (5–9) as given in the manuscript; refers to the half-reaction equation identifier.
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E0 / V: Standard potential calculated in this study (volts vs. standard hydrogen electrode, SHE).
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E0 / V: Standard potential reported in the literature (volts vs. standard hydrogen electrode), from reference [28].
Full citation of reference 28 from the article:
28. Akkari S, Sánchez-Sánchez CM, Hopsort G, Serrano KG, Loubière K, Tzedakis T, Benyahia R, Rebiai L, Bastide S, Cachet-Vivier C, Vivier V, Lopez-Viveros M, Azimi S (2025) Progress on electrochemical and photoelectrochemical urea and ammonia conversion from urine for sustainable wastewater treatment. Appl. Catal. B Environ. Energy 362, 124718. https://doi.org/10.1016/j.apcatb.2024.124718.
File: Figure_S1.png
Description: Bar chart of "open-circuit voltage" (OCV, in V) for each of the seven reaction pathways (pathway numbers per Table 2 of the manuscript).
File: Figure_S2.png
Description: Bar chart of "E-factor" (mass of waste generated per mass of product; unitless) for each pathway.
File: Figure_S3.png
Description: Bar chart of "reaction entropy change" (ΔS, J mol⁻¹ K⁻¹) for each pathway.
File: Figure_S4.png
Description: Bar chart of "reaction enthalpy change" (ΔH, kJ mol⁻¹) for each pathway.
Code/software
Microsoft Excel — used for tabulating data.
SigmaPlot for Windows Version 11.0 — used for creating figures.
Access information
All data and figures in this submission are released under the CC0 1.0 Universal (Public Domain Dedication).