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Supplementary material for the publication "Thermodynamically consistent derivation of excess Raman spectra "
Metadaten
| Weitere mitwirkende Personen, Institutionen oder Unternehmen | dfg - Funder | |
| Weitere mitwirkende Personen, Institutionen oder Unternehmen | Bräuer, Andreas Siegfried - Institute of Thermal Process Engineering, Environmental and Natural Materials Process Engineering (ITUN), Technische Universität Bergakademie Freiberg (ORCID: https://orcid.org/0000-0002-7816-4027) - ProjectLeader | |
| Für den Inhalt der Forschungsdaten verantwortliche Person(en) | Bräuer, Andreas - TU Freiberg (ORCID: https://orcid.org/0000-0002-7816-4027) | |
| Für den Inhalt der Forschungsdaten verantwortliche Person(en) | Willger, Miriam - TU Freiberg (ORCID: https://orcid.org/0000-0003-1551-2407) | |
| Verwendete Forschungsinstrumente | Ocean Optics QE Pro | |
| Verwendete Forschungsinstrumente | Cobolt Samba,532 nm, 1 W | |
| Kurzbeschreibung | The supplementary material includes all raw data used for the publication. These are the recorded mixture Raman spectra for the binary mixtures acetone-water, acetone-n-heptane, acetone-n-hexane, acetone-cyclohexane and acetone-ethanol at 25°C as .txt files. The files are located in the subfolders of the respective mixture name in the 'Data' folder. The 'Data' folder also contains the raman shift ('ramanshift' ,.txt) for all spectra. In addition, the literature data for the mixture densities and refractive indices can be found in the .xlsx file 'refractive_index_density'. The python code used for the evaluation, which is also used to generate the figures shown in the publication, can be found in the 'Code' folder. A description on how the code works can be found in the 'Read me' file. | |
| Angewendete Methoden oder Verfahren | Raman spectroscopy | |
| Weitere Schlagwörter | Excess Raman spectra; molar Raman spectra | |
| Sprache | eng | |
| Entstehungsjahr oder Entstehungszeitraum | 2023 | |
| Veröffentlichungsjahr | 2023 | |
| Herausgeber | Technische Universität Bergakademie Freiberg | |
| Referenzen auf ergänzende Materialien | IsPartOf: 123456789/5975 (Handle) | |
| Inhalt der Forschungsdaten | Dataset, Model: Data: Raman spectra as .txt files Modell: model for calculation of molar (excess) raman spectra as Python file | |
| Inhaber der Nutzungsrechte | Technische Universität Bergakademie Freiberg | |
| Nutzungsrechte des Datensatzes | CC-BY-4.0 | |
| Eingesetzte Software | Resource Processing: Python 3.9 | |
| Nähere Beschreibung der/s Fachgebiete/s | Chemical Thermodynamics | |
| Angabe der Fachgebiete | Engineering | de |
| Titel des Datensatzes | Supplementary material for the publication "Thermodynamically consistent derivation of excess Raman spectra " |
Dateien zu dieser Ressource
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Supplementary material for the publication "Thermodynamically consistent derivation of excess Raman spectra " [1]
The supplementary material includes all raw data used for the publication. These are the recorded mixture Raman spectra for the binary mixtures acetone-water, acetone-n-heptane, acetone-n-hexane, acetone-cyclohexane and acetone-ethanol at 25°C as .txt files. The files are located in the subfolders of the respective mixture name in the 'Data' folder. The 'Data' folder also contains the raman shift ('ramanshift' ,.txt) for all spectra. In addition, the literature data for the mixture densities and refractive indices can be found in the .xlsx file 'refractive_index_density'. The python code used for the evaluation, which is also used to generate the figures shown in the publication, can be found in the 'Code' folder. A description on how the code works can be found in the 'Read me' file. The supplementary material includes the raw spectra as .txt files as well as the Python code for data evaluation and visualization.