Título: | COMPUTER CALCULATION OF METASTABLE GAS EQUILIBRIUM FOR THE ACETONE SYNTHESIS FROM ETHANOL AND EVALUATION OF THE CHEMICAL ACTIVITY OF CARBON ON THE METHANATION OF CO2 | ||||||||||||
Autor: |
PABLO ESTEBAN SALINAS SOLIS |
||||||||||||
Colaborador(es): |
ROBERTO RIBEIRO DE AVILLEZ - Orientador |
||||||||||||
Catalogação: | 07/JAN/2019 | Língua(s): | PORTUGUESE - BRAZIL |
||||||||||
Tipo: | TEXT | Subtipo: | THESIS | ||||||||||
Notas: |
[pt] Todos os dados constantes dos documentos são de inteira responsabilidade de seus autores. Os dados utilizados nas descrições dos documentos estão em conformidade com os sistemas da administração da PUC-Rio. [en] All data contained in the documents are the sole responsibility of the authors. The data used in the descriptions of the documents are in conformity with the systems of the administration of PUC-Rio. |
||||||||||||
Referência(s): |
[pt] https://www.maxwell.vrac.puc-rio.br/projetosEspeciais/ETDs/consultas/conteudo.php?strSecao=resultado&nrSeq=36000&idi=1 [en] https://www.maxwell.vrac.puc-rio.br/projetosEspeciais/ETDs/consultas/conteudo.php?strSecao=resultado&nrSeq=36000&idi=2 |
||||||||||||
DOI: | https://doi.org/10.17771/PUCRio.acad.36000 | ||||||||||||
Resumo: | |||||||||||||
The mean goal of this thesis is to study the thermodynamic viability of the acetone formation reaction from ethanol and water by performing calculations using the program Thermo-Calc and the SSUB3 database for metastable gas equilibrium. As a validation of the method used the equilibrium was calculated for the methanation reaction of CO2 with H2. This calculation occurred without problems so the study of the chemical activity of the carbon was also added to avoid the deposition of solid carbon on the catalysts. For the acetone calculation, it was considered a metastable equilibrium because it was not possible to calculate using all possible chemical species. This was done to simulate the effects of catalysts, which inhibit the formation of some of these species. If the calculation was made with all chemical species, it was noted that the net reaction is the reform of ethanol by water.The conversion of ethanol and the selectivity of the chemical species present in greater quantities were determined as a function of temperature and ethanol and water ratio, and the results obtained were compared with experimental data obtained with different catalysts.
|
|||||||||||||
|