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[en] PREDICTION OF PROPERTIES OF GASOLINE USING FTIR SPECTROSCOPY AND PLS / [pt] PREDIÇÃO DE PROPRIEDADES DE GASOLINAS USANDO ESPECTROSCOPIA FTIR E REGRESSÃO POR MÍNIMOS QUADRADOS PARCIAISELAINE ROCHA DA LUZ 23 January 2004 (has links)
[pt] Diversas propriedades físico-químicas de gasolinas (teores de álcool, benzeno, aromáticos, saturados e olefinas, densidade, MON, RON e temperaturas de destilação) foram estimadas simultaneamente por espectroscopia na região do infravermelho médio (FTIR) acoplada à regressão por mínimos quadrados parciais (PLS). Os métodos de referência utilizados incluíram métodos ASTM, ABNT e o equipamento
IROX, baseado em espectroscopia na região do infravermelho próximo. Embora o erro médio da predição (RMSEP) tenha sido o principal parâmetro considerado para selecionar o melhor modelo de predição para cada propriedade, a repetibilidade e a reprodutibilidade também foram avaliados. As propriedades que tiveram como método de referência o equipamento IROX (todos os teores, MON e RON) apresentaram,
em geral, resultados mais pobres, sendo o pior resultado o encontrado para o teor de olefinas (21,3 +- 2,4) e o melhor para MON (82,5 +- 0,5). No caso das propriedades que tiveram como referência métodos ASTM ou ABNT (teor de álcool, densidade e temperaturas de destilação) o pior resultado encontrado foi para o teor de álcool (23,9 +- 0,7) e o melhor para a densidade (0,7556 +- 0,0025). No entanto,
mesmo quando os valores de RMSEP encontrados através da regressão PLS foram considerados pequenos, os coeficientes de correlação (R2) entre os valores preditos e os de referência, para um conjunto de amostras independentes da calibração, foram menores que 0,70, para todas as propriedades. Isso se deve, principalmente, a pouca variação nos valores de algumas propriedades, como MON, por exemplo, que em todas as gasolinas analisadas apresentou valores entre 81,4 e 83,8. Ainda assim, o método FTIR-PLS mostrou-se bastante promissor como uma alternativa para a análise de gasolinas, podendo ser melhorado com a utilização de maior número de amostras de calibração e/ou com a utilização de um conjunto de amostras mais representativo, além da utilização de métodos de referência padrão. / [en] Several gasoline properties (alcohol, benzene, aromatics, saturated and olefin contents, density, MON, RON and distillation temperatures) have been predicted simultaneously by spectroscopy in the region of the mid infrared (FTIR) and partial least squares regression (PLS). The methods used as reference have included ASTM and ABNT methods and the IROX equipment, based on spectroscopy in the region of the near infrared. Although the standard error of the prediction (RMSEP) has been the main considered parameter to select the best model of prediction for each property, the repeatability and the reproducibility
have also been evaluated. In general, the properties determined by IROX as the reference method (all the
constituents, MON and RON) have presented poor results, the worst one found being the olefins content (21,3 +- 2,4) and the best one MON (82,5 +- 0,5). In the case of the properties that had ASTM or ABNT methods as reference (alcohol content, density and distillation temperatures) the worst results were found for the alcohol content (23,9 +- 0,7) and the best one for the density (0,7556 +- 0,0025). However, even values of RMSEP found by PLS regression had been considered small, the correlation coefficients (R2)
between the predicted values and reference values, for a set of samples independent of the calibration, have been shown to be below 0,70, for all the properties. This fact can be explained by the small variation in the values of some properties, as MON, that in all gasoline samples presented values between 81,4 and 83,8. FTIR-PLS method revealed promising as an alternative for gasoline analysis. This method could be improved with the use of a greater set of calibration samples and/or with the use of a more representative sample set, beyond the use of standard reference methods.
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The autothermal reforming of artificial gasolinePraharso, Praharso, School of Chemical Engineering & Industrial Chemistry, UNSW January 2003 (has links)
Stringent legislation on control of vehicle exhaust emissions has led to consideration of alternative means of reducing emissions, with hydrogen fuel cell powered vehicles being accepted as one favoured possibility. However, the difficulties of storing and distributing hydrogen as a fuel are such that the conversion of more readily available fuels to hydrogen on board the vehicle may be required. The production of hydrogen by the partial oxidation of isooctane over Rh/Al2O3, Rh/CeO2-?l2O3 and Rh/CeO2-ZrO2 catalysts has been investigated. Oxidation was initiated at temperatures between 200 ?220 oC. The yield of hydrogen was 100%. CeO2-ZrO2 was found to be the best support. The production of hydrogen by the autothermal reforming of artificial gasoline has been studied. Part of gasoline is oxidised to produce heat and steam to promote the steam reforming of unburnt gasoline to produce hydrogen. The use of platinum impregnated on ceria supports (active for oxidation) and a commercial nickel based catalyst (Ni-com), for steam reforming of gasoline have been explored. Initiation of oxidation of artificial gasoline over unreduced platinum based catalysts occurred at temperature as low as 150 oC, depending on the oxygen:carbon ratio and the liquid hydrocarbon used. Detailed kinetic studies of the steam reforming of isooctane and artificial gasoline (a mix of cyclohexane, isooctane and octane) over pre-reduced Ni-com catalysts showed that the reaction was 0.17 order in isooctane and 0.54 order in steam, whilst the reaction was 0.08 order in artificial gasoline and 0.23 order in steam. Mechanisms have been proposed to account for the dual site surface reaction with dissociative adsorption of isooctane or artificial gasoline and steam. Combined oxidation and steam reforming systems (autothermal reforming) using Pt/CeO2 as a front catalyst bed and Ni-com as the rear bed at the feed conditions of oxygen:carbon (O:C) ratio of ca.1.2 and steam:carbon (S:C) ratio of ca.2, produces ca. 3.5 moles of hydrogen per mole of gasoline fed. The system reaction temperature could be controlled by adjusting the O:C and S:C ratios in feed.
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Dynamic models of price changes /Davis, Michael C. January 2001 (has links)
Thesis (Ph. D.)--University of California, San Diego, 2001. / Vita. Includes bibliographical references (leaves 116-120).
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The autothermal reforming of artificial gasoline /Praharso. January 2003 (has links)
Thesis (Ph. D.)--University of New South Wales, 2003. / Also available online.
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Essays related to the economic effects of bio-fuels in the gasoline marketDomínguez, Juan M. January 1900 (has links)
Thesis (Ph.D.)--University of Minnesota, 2008. / Advisers: Gerard McCullough, Vernon Eidman. Includes bibliographical references.
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Estimating the impacts of a vehicle mileage fee using a discrete continuous choice modeling approach /Valluri, Divya. January 1900 (has links)
Thesis (M.S.)--Oregon State University, 2009. / Printout. Includes bibliographical references (leaves 34-37). Also available on the World Wide Web.
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Fractional distillation application of theoretical method of calculation to commercial gasoline stabilizer test data,Nyland, Harold Vincent, January 1900 (has links)
Thesis (Sc. D.)--University of Michigan, 1934. / "This paper was presented at the 26th semi-annual meeting of the American institute of chemical engineers, New York, N.Y., May, 1934, and is reprinted from volume no. 30 of the Transactions." "References dealing with distillation and vapor-liquid equilibria": p. 26-27.
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Vapor pressure of complex mixturesCoats, Hal Begtrup, January 1929 (has links)
Thesis (Ph. D.)--University of Michigan, 1929. / At head of title: Exhibit B.
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Fractional distillation application of theoretical method of calculation to commercial gasoline stabilizer test data,Nyland, Harold Vincent, January 1900 (has links)
Thesis (Sc. D.)--University of Michigan, 1934. / "This paper was presented at the 26th semi-annual meeting of the American institute of chemical engineers, New York, N.Y., May, 1934, and is reprinted from volume no. 30 of the Transactions." "References dealing with distillation and vapor-liquid equilibria": p. 26-27.
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Gaseous explosions, initial temperature and rate of rise of pressureBrown, George Granger, Carr, Arthur Raymond, Leslie, Eugene H. Hunn, J. V., January 1900 (has links)
Thesis (Ph. D.)--University of Michigan, 1924. / Cover title. Reprinted from Industrial and engineering chemistry, v. 18, no. 7, July, 1926, v. 17, no. 4, April, 1925, and v. 17, no. 12, December, 1925. Bibliography: [pt. 1] p. 11.
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