M. Clemente, Heloisa Silva, Júlia Campos, Nathan Silva, Eduardo Sousa, A. Mantovani, Karina B. Angilelli, D. Borsato
{"title":"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","authors":"M. Clemente, Heloisa Silva, Júlia Campos, Nathan Silva, Eduardo Sousa, A. Mantovani, Karina B. Angilelli, D. Borsato","doi":"10.21577/0103-5053.20220139","DOIUrl":null,"url":null,"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.","PeriodicalId":17257,"journal":{"name":"Journal of the Brazilian Chemical Society","volume":"1 1","pages":""},"PeriodicalIF":1.3000,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mathematical Mapping Study of Synthetic Antioxidants Behavior in Biodiesel: Application of the Self-Organized Feature Map (SOFM) and Multilayer Perceptron (MLP)\",\"authors\":\"M. Clemente, Heloisa Silva, Júlia Campos, Nathan Silva, Eduardo Sousa, A. Mantovani, Karina B. Angilelli, D. Borsato\",\"doi\":\"10.21577/0103-5053.20220139\",\"DOIUrl\":null,\"url\":null,\"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.\",\"PeriodicalId\":17257,\"journal\":{\"name\":\"Journal of the Brazilian Chemical Society\",\"volume\":\"1 1\",\"pages\":\"\"},\"PeriodicalIF\":1.3000,\"publicationDate\":\"2023-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Brazilian Chemical Society\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.21577/0103-5053.20220139\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Brazilian Chemical Society","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.21577/0103-5053.20220139","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Mathematical Mapping Study of Synthetic Antioxidants Behavior in Biodiesel: Application of the Self-Organized Feature Map (SOFM) and Multilayer Perceptron (MLP)
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.
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.