Mahdi Abdi-Khanghah , Fahimeh Hadavimoghaddam , Saeid Atashrouz , Elnaz Nasirzadeh , Meftah Ali Abuswer , Mehdi Ostadhassan , Ahmad Mohaddespour , Abdolhossein Hemmati-Sarapardeh
{"title":"Toward predicting CO2 loading capacity in monoethanolamine (MEA) aqueous solutions using deep belief network","authors":"Mahdi Abdi-Khanghah , Fahimeh Hadavimoghaddam , Saeid Atashrouz , Elnaz Nasirzadeh , Meftah Ali Abuswer , Mehdi Ostadhassan , Ahmad Mohaddespour , Abdolhossein Hemmati-Sarapardeh","doi":"10.1016/j.dche.2025.100235","DOIUrl":null,"url":null,"abstract":"<div><div>The viability of CO<sub>2</sub> capture projects, particularly through absorption with monoethanolamine (MEA) and other commercial absorbents, strongly depends on the CO<sub>2</sub> loading capacity. Therefore, comprehending the impact of variables on the CO<sub>2</sub> loading capacity of MEA is crucial in designing CO<sub>2</sub> capture units, which can be further optimized through multi-objective optimization. To this end, four machine learning models—Bagging Regression (BR), Categorical Boosting (CatBoost), Deep Belief Network (DBN), and Gaussian Process Regression with Rational Quadratic kernel function (GPR-RQ)—were utilized to predict the CO<sub>2</sub> loading capacity of MEA aqueous solutions. Temperature, partial pressure of CO<sub>2</sub>, and MEA concentration were inputted into the intelligent network to calculate the CO<sub>2</sub> loading capacity. The binary values of R<sup>2</sup> and standard deviation (SD), which were 0.9889 and 0.0628 for Bagging Regression, 0.9932 and 0.06586 for CatBoost, 0.9957 and 0.0588 for GPR-RQ, and 0.9971 and 0.0329 for DBN, confirm that DBN has the highest accuracy in statistical analysis, followed by GPR-RQ, CatBoost, and Bagging Regression. Additionally, graphical methods like scattered plots and relative deviation plots corroborate the superior performance of the DBN model over all other intelligent techniques. By conducting a relevancy factor analysis on DBN outcomes, sensitivity analysis demonstrates that pressure has the most significant influence among the inputs. Furthermore, the Leverage technique affirms that the DBN model has a substantial degree of validity in forecasting the CO<sub>2</sub> loading capacity of MEA. Finally, 3-D image plots were systematically examined to analyze the binary interactive effect of (temperature, CO<sub>2</sub> partial pressure), (temperature, MEA concentration), and (CO<sub>2</sub> partial pressure, MEA concentration) on the carbon absorption efficiency, which is essential to reach the net-zero emission purpose.</div></div>","PeriodicalId":72815,"journal":{"name":"Digital Chemical Engineering","volume":"15 ","pages":"Article 100235"},"PeriodicalIF":3.0000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Digital Chemical Engineering","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2772508125000195","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The viability of CO2 capture projects, particularly through absorption with monoethanolamine (MEA) and other commercial absorbents, strongly depends on the CO2 loading capacity. Therefore, comprehending the impact of variables on the CO2 loading capacity of MEA is crucial in designing CO2 capture units, which can be further optimized through multi-objective optimization. To this end, four machine learning models—Bagging Regression (BR), Categorical Boosting (CatBoost), Deep Belief Network (DBN), and Gaussian Process Regression with Rational Quadratic kernel function (GPR-RQ)—were utilized to predict the CO2 loading capacity of MEA aqueous solutions. Temperature, partial pressure of CO2, and MEA concentration were inputted into the intelligent network to calculate the CO2 loading capacity. The binary values of R2 and standard deviation (SD), which were 0.9889 and 0.0628 for Bagging Regression, 0.9932 and 0.06586 for CatBoost, 0.9957 and 0.0588 for GPR-RQ, and 0.9971 and 0.0329 for DBN, confirm that DBN has the highest accuracy in statistical analysis, followed by GPR-RQ, CatBoost, and Bagging Regression. Additionally, graphical methods like scattered plots and relative deviation plots corroborate the superior performance of the DBN model over all other intelligent techniques. By conducting a relevancy factor analysis on DBN outcomes, sensitivity analysis demonstrates that pressure has the most significant influence among the inputs. Furthermore, the Leverage technique affirms that the DBN model has a substantial degree of validity in forecasting the CO2 loading capacity of MEA. Finally, 3-D image plots were systematically examined to analyze the binary interactive effect of (temperature, CO2 partial pressure), (temperature, MEA concentration), and (CO2 partial pressure, MEA concentration) on the carbon absorption efficiency, which is essential to reach the net-zero emission purpose.