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Supplementary material for the publication "Thermodynamically consistent derivation of excess Raman spectra "
Metadata
| Other contributing persons, institutions or organisations | dfg - Funder | |
| Other contributing persons, institutions or organisations | 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 | |
| Person(s) who is (are) responsible for the content of the research data | Bräuer, Andreas - TU Freiberg (ORCID: https://orcid.org/0000-0002-7816-4027) | |
| Person(s) who is (are) responsible for the content of the research data | Willger, Miriam - TU Freiberg (ORCID: https://orcid.org/0000-0003-1551-2407) | |
| Used research instruments or devices | Ocean Optics QE Pro | |
| Used research instruments or devices | Cobolt Samba,532 nm, 1 W | |
| Abstract | 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. | |
| Applied methods and techniques | Raman spectroscopy | |
| Additional keywords | Excess Raman spectra; molar Raman spectra | |
| Language | eng | |
| Year or period of data production | 2023 | |
| Publication year | 2023 | |
| Publisher | Technische Universität Bergakademie Freiberg | |
| References on related materials | IsPartOf: 123456789/5975 (Handle) | |
| Content of the research data | Dataset, Model: Data: Raman spectra as .txt files Modell: model for calculation of molar (excess) raman spectra as Python file | |
| Holder of usage rights | Technische Universität Bergakademie Freiberg | |
| Usage rights of the data | CC-BY-4.0 | |
| Software | Resource Processing: Python 3.9 | |
| Additional precise description of discipline | Chemical Thermodynamics | |
| Discipline(s) | Engineering | de |
| Title of the dataset | Supplementary material for the publication "Thermodynamically consistent derivation of excess Raman spectra " |
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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.