{"title":"Development of a novel physics-informed machine learning model for advanced thermochemical waste conversion","authors":"Surika van Wyk","doi":"10.1016/j.ceja.2024.100699","DOIUrl":null,"url":null,"abstract":"<div><div>A physics-informed machine learning (ML) model, which incorporates the conservation of carbon mass, was developed to predict the product gas yield and composition for indirect gasification of waste in a fluidized bed. A dataset was compiled from experimental data of an in-house reactor, encompassing a wide range of feedstocks characteristics (biomass to plastics) and process conditions, which served as input for the model. Four data-driven models were trained and evaluated, with the XGBoost model having the best predictive accuracy (RMSE = 1.1 & R<sup>2</sup> = 0.99) and being adapted for the physics-informed model. The optimum physics contribution was 30 % (70 % data contribution) to maintain predictive accuracy (RMSE = 2.7 & R<sup>2</sup> = 0.95) and improve carbon closure. Feedstock properties were shown to have a higher feature importance compared to the operating conditions. The developed physics-informed model demonstrated the potential of ML models for the modelling of gasification of various waste streams. This is a promising first step towards improving data-driven ML models for application to thermochemical systems.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100699"},"PeriodicalIF":5.5000,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering Journal Advances","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2666821124001169","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
A physics-informed machine learning (ML) model, which incorporates the conservation of carbon mass, was developed to predict the product gas yield and composition for indirect gasification of waste in a fluidized bed. A dataset was compiled from experimental data of an in-house reactor, encompassing a wide range of feedstocks characteristics (biomass to plastics) and process conditions, which served as input for the model. Four data-driven models were trained and evaluated, with the XGBoost model having the best predictive accuracy (RMSE = 1.1 & R2 = 0.99) and being adapted for the physics-informed model. The optimum physics contribution was 30 % (70 % data contribution) to maintain predictive accuracy (RMSE = 2.7 & R2 = 0.95) and improve carbon closure. Feedstock properties were shown to have a higher feature importance compared to the operating conditions. The developed physics-informed model demonstrated the potential of ML models for the modelling of gasification of various waste streams. This is a promising first step towards improving data-driven ML models for application to thermochemical systems.