Line shape analysis of the Raman spectra from pure and mixed biofuels esters compounds
| Autor: | Erlon H. Martins Ferreira, Gabriela F. Moreira, Hélio F. Dos Santos, Carlos A. Achete, Ado Jorio, Eduardo W. Castilho-Almeida, Raigna A. S. Z. Armond, Alisson Marques de Miranda |
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| Rok vydání: | 2014 |
| Předmět: |
Biodiesel
Chemistry General Chemical Engineering Organic Chemistry Analytical chemistry Energy Engineering and Power Technology Fatty acid methyl esters Spectral line symbols.namesake chemistry.chemical_compound Fuel Technology Stearate Molecular vibration symbols Chemical Engineering(all) Molecule Organic chemistry Raman spectra Raman spectroscopy Linolenate Shape analysis (digital geometry) |
| Zdroj: | ResearcherID |
| ISSN: | 0016-2361 |
| DOI: | 10.1016/j.fuel.2013.06.038 |
| Popis: | This work provides a systematic and comprehensible lineshape analysis of the Raman spectra from (i) the main esters that compose the soybean biodiesel, namely Palmitate, Stearate, Oleate, Linoleate and Linolenate, (ii) mixtures of these esters, (iii) a soybean biodiesel reference material. Using theoretical spectral simulation as a guide, the experimental spectra are fit considering all the 3N-6 vibrational modes, where N is the number of atoms in the molecule. We demonstrate that while intensity analysis may lead to uncertainty in the definition of the relative ester contents in a mixture, a complete spectral analysis involving all parameters, including peak frequencies, allows spectral determination of esters composition. Finally we define a protocol that can be used for defining the specific composition of unknown, including adulterated biodiesels, important for quality control. |
| Databáze: | OpenAIRE |
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