Machine learning-driven optimization of performance and emissions in a butanol/diesel CI engine

A hybrid modeling framework integrating experiments, CONVERGE CFD, and Optuna-optimized ensemble machine learning is developed to predict and optimize performance and emission characteristics of a DI-CI engine fueled with butanol/diesel blends. Machine learning was employed to model and predict key combustion and emission characteristics under varying engine operating conditions. This work presents a numerical and modeling examination of a DI-CI engine's performance and emission characteristics. CONVERGE CFD software was used to do the numerical analysis. Four distinct engine parameters were examined in this study: Start of Injection (SOI) (17 to 29° CA bTDC), Compression Ratio (CR) (14.5 to 19.5), Exhaust Gas Recirculation (EGR) (0 to 30%), and Fuel Injection Pressure (FIP) (200 to 280 bar). The Optuna-optimized ensemble Meta Model achieved the most accurate predictions, exhibiting the lowest RMSE and highest R² values for ISFC and NOₓ, along with reasonable accuracy for Soot estimation. The ensemble Meta Model achieved the best performance with R² values of 0.98 (ISFC) and 0.97 (NOx) and RMSE below 5%, demonstrating strong generalization.

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Publication Details

Journal
Scientific Reports
Published
2026-05-23
DOI
https://doi.org/10.1038/s41598-026-54687-7
Primary Topic
Advanced Combustion Engine Technologies
Type
article
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article

Machine learning-driven optimization of performance and emissions in a butanol/diesel CI engine

V. R. K. Raju, Ahmed Jemal, Sunnam Nagaraju, T.R. Vijaybabu et al.
Scientific Reports
Advanced Combustion Engine Technologies
article

Machine learning-driven optimization of performance and emissions in a butanol/diesel CI engine

V. R. K. Raju, Ahmed Jemal, Sunnam Nagaraju, T.R. Vijaybabu, S. Srinivasa Rao, G. Kiran Kumar, A. Bhowmik, K. Siva Prasad
article en

Abstract

A hybrid modeling framework integrating experiments, CONVERGE CFD, and Optuna-optimized ensemble machine learning is developed to predict and optimize performance and emission characteristics of a DI-CI engine fueled with butanol/diesel blends. Machine learning was employed to model and predict key combustion and emission characteristics under varying engine operating conditions. This work presents a numerical and modeling examination of a DI-CI engine's performance and emission characteristics. CONVERGE CFD software was used to do the numerical analysis. Four distinct engine parameters were examined in this study: Start of Injection (SOI) (17 to 29° CA bTDC), Compression Ratio (CR) (14.5 to 19.5), Exhaust Gas Recirculation (EGR) (0 to 30%), and Fuel Injection Pressure (FIP) (200 to 280 bar). The Optuna-optimized ensemble Meta Model achieved the most accurate predictions, exhibiting the lowest RMSE and highest R² values for ISFC and NOₓ, along with reasonable accuracy for Soot estimation. The ensemble Meta Model achieved the best performance with R² values of 0.98 (ISFC) and 0.97 (NOx) and RMSE below 5%, demonstrating strong generalization.

Scientific Reports
Lovely Professional University (IN), National Institute of Technology Warangal (IN), Jimma University (ET), Aditya Birla (India) (IN), Saveetha University (IN), GITAM University (IN)
Affordable and clean energy
Openalex Percentile: Top 9%
Advanced Combustion Engine Technologies
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