Mathematical Mapping Study of Synthetic Antioxidants Behavior in Biodiesel: Application of the Self-Organized Feature Map (SOFM) and Multilayer Perceptron (MLP)

IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of the Brazilian Chemical Society Pub Date : 2023-05-01 DOI:10.21577/0103-5053.20220139
M. Clemente, Heloisa Silva, Júlia Campos, Nathan Silva, Eduardo Sousa, A. Mantovani, Karina B. Angilelli, D. Borsato
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Abstract

The objective of the present work was to apply self-organizing feature maps (SOFM) and multilayer perceptron (MLP) to evaluate the protective capacity of tert-butylhydroquinone (TBHQ), butylhydroxyanisole (BHA), and butylhydroxytoluene (BHT) antioxidants against the biodiesel oxidation reaction. For this, the antioxidant concentration and the biodiesel compliance parameters were used as continuous input variables and the type of antioxidant as a categorical. The SOFM proved to be an adequate tool for the classification of biodiesel samples containing antioxidants. The performance of the 5 most active networks of the model ranged from 89 to 99% for training, testing, and validation with an error below 1.42 × 10-4. Statistical tests applied to validate the model showed no significant difference between predicted and experimental values. The global sensitivity analysis showed that the relative protection factor (RPF) contributed with 34.89%, the antioxidant with 31.49%, the induction period with 10.69%, the water content with 6.00%, and the others all together with 16.93% in the construction of the regression models by MLP.
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生物柴油合成抗氧化剂行为的数学映射研究:自组织特征映射(SOFM)和多层感知器(MLP)的应用
本研究的目的是应用自组织特征图(SOFM)和多层感知器(MLP)来评估叔丁基对苯二酚(TBHQ)、丁基羟基异醇(BHA)和丁基羟基甲苯(BHT)抗氧化剂对生物柴油氧化反应的保护能力。为此,将抗氧化剂浓度和生物柴油顺应性参数作为连续输入变量,并将抗氧化剂类型作为分类变量。SOFM被证明是对含有抗氧化剂的生物柴油样品进行分类的适当工具。该模型的5个最活跃网络的训练、测试和验证性能在89 - 99%之间,误差低于1.42 × 10-4。对模型进行统计检验,预测值与实验值无显著差异。全局敏感性分析表明,在MLP构建的回归模型中,相对保护因子(RPF)的贡献率为34.89%,抗氧化剂的贡献率为31.49%,诱导期的贡献率为10.69%,含水量的贡献率为6.00%,其余各因子的贡献率为16.93%。
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来源期刊
CiteScore
2.90
自引率
7.10%
发文量
99
审稿时长
3.4 months
期刊介绍: The Journal of the Brazilian Chemical Society embraces all aspects of chemistry except education, philosophy and history of chemistry. It is a medium for reporting selected original and significant contributions to new chemical knowledge.
期刊最新文献
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