Using the Doehlert matrix as a tool for studying the influence of gasoline components on octane numbers

Assis, Júlio César Rosa; Teixeira, Josanaide Sant’Ana Ribeiro; Pontes, Luiz Antônio Magalhães; Guimarães, Paulo R. B.; Vianna, Regina Ferreira; Bezerra, Marcos Almeida; Teixeira, Leonardo Sena Gomes

doi:10.1016/j.fuel.2013.06.047

Cited by 8 publications

(6 citation statements)

References 13 publications

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“…Hence, the DM approach has been widely utilized in analytical sciences, as an optimization tool and as a simple alternative to orthogonal design [47]. The method has been utilized successfully in oil refining, homogeneous catalysis, heavy metal analysis and food science, for optimization of experimental and analytical parameters [54][55][56][57][58][59]. ESI, Sects.…”

Section: Introductionmentioning

confidence: 99%

Optimization of mesoporous titanosilicate catalysts for cyclohexene epoxidation via statistically guided synthesis

et al. 2018

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An efficient approach to improve the catalytic activity of titanosilicates is introduced. The Doehlert matrix (DM) statistical model was utilized to probe the synthetic parameters of mesoporous titanosilicate microspheres (MTSM), in order to increase their catalytic activity with a minimal number of experiments. Synthesis optimization was carried out by varying two parameters simultaneously: homogenizing temperature and surfactant weight. Thirteen different MTSM samples were synthesized in two sequential 'matrices' according to Doehlert conditions and were used to catalyse the epoxidation of cyclohexene with tert-butyl hydroperoxide. The samples (and the corresponding synthesis conditions) with superior catalytic activity in terms of product yield and selectivity were identified. In addition, this approach revealed the limiting values of each synthesis parameter, beyond which the material becomes catalytically ineffective. This study demonstrates that the DM approach can be broadly used as a powerful and time-efficient tool for investigating the optimal synthesis conditions of heterogeneous catalysts. Abbreviation

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Section: Introductionmentioning

confidence: 99%

Optimization of mesoporous titanosilicate catalysts for cyclohexene epoxidation via statistically guided synthesis

et al. 2018

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“…Octane number (ON), also known as octane rating, is a standard index widely used to measure the resistance of an engine or fuel to knock. The higher the ON, the more compression a fuel can withstand before detonating (igniting). − In other words, the higher the ON, the more compression required for the ignition of a fuel. Fuels with different ONs must be utilized in different engines.…”

Section: Introductionmentioning

confidence: 99%

QSPR Studies on the Octane Number of Toluene Primary Reference Fuel Based on the Electrotopological State Index

Jiao

Liu

et al. 2020

ACS Omega

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The quantitative structure–property relationship (QSPR) models for predicting the octane number (ON) of toluene primary reference fuel (TPRF; blends of n-heptane, isooctane, and toluene) was investigated. The electrotopological state (E-state) index of TPRF components was computed and weight-summed to generate the quantitative descriptor of TPRF samples. The partial least squares (PLS) technique was used to build up the regression model between the ON and weight-summed E-state index of the investigated samples. The QSPR models for the research octane number (RON) and motor octane number (MON) of TPRF were built. The prediction performance of the obtained PLS models was assessed by the external test set validation and leave-one-out cross-validation. The validation results demonstrate that the proposed PLS models are feasible for predicting the ON, both RON and MON, of TPRF. In addition, several other QSPR models for the ON of TPRF were developed by employing the stepwise regression and Scheffé polynomials methods, and the prediction performance of these models were compared with that of the PLS models. The comparison result shows that the proposed PLS models are slightly better than multiple linear regression models and Scheffé models. It is demonstrated that the combination of the E-state index and PLS is an easy-to-use and promising method for studying and forecasting the ON of TPRF.

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“…It is used to evaluate the quality of the gasoline and also to classify the gasoline by price and grade (viz. premium or regular;Doble et al, 2003;Assis et al, 2013). There are different kinds of engines, and consequently different test conditions, which results in the two most common octane rating scales, viz.…”

Section: Introductionmentioning

confidence: 99%

“…MON and RON. The MON and RON are determined by assessing the fuel in a test engine under rigorous and controlled conditions (Assis et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

Modeling of the Properties of Gasoline and Petroleum Fractions Using a Robust Scheme

Kamari

Sattari

Mohammadi

et al. 2015

Petroleum Science and Technology

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Gasoline is one of the most recognized products of the petroleum industry due to its use as a liquid fuel worldwide. As a result, it is of great importance to accurately determine the properties of gasoline, so as to evaluate its quality. In this article, an effective mathematical and predictive strategy, namely least squares support vector machines (LSSVM) is applied to predict some gasoline properties, viz. specific gravity (SG), motor octane number (MON), research octane number (RON), and Reid vapor pressure (RVP). A comprehensive error analysis is also undertaken to compare the values predicted from the model with actual data which enables one to evaluate the performance of the model developed in this study. The results indicate that the model developed has reasonable accuracy and prediction capability. The correlation indices, R 2 , are 0.990, 0.933, 0.955, and 0.920 for SG, MON, RON, and RVP, respectively.

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Using the Doehlert matrix as a tool for studying the influence of gasoline components on octane numbers

Cited by 8 publications

References 13 publications

Optimization of mesoporous titanosilicate catalysts for cyclohexene epoxidation via statistically guided synthesis

Optimization of mesoporous titanosilicate catalysts for cyclohexene epoxidation via statistically guided synthesis

QSPR Studies on the Octane Number of Toluene Primary Reference Fuel Based on the Electrotopological State Index

Modeling of the Properties of Gasoline and Petroleum Fractions Using a Robust Scheme

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