Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks

In this study, a transfer learning-based neural network approach to predict ignition delays for a variety of fuels is proposed to meet the demand for accurate combustion analysis. A comprehensive dataset of ignition delays was generated using a random sampling technique across different temperatures...

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Main Authors: Mo Yang, Dezhi Zhou
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Energy and AI
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Online Access:http://www.sciencedirect.com/science/article/pii/S2666546824001332
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author Mo Yang
Dezhi Zhou
author_facet Mo Yang
Dezhi Zhou
author_sort Mo Yang
collection DOAJ
description In this study, a transfer learning-based neural network approach to predict ignition delays for a variety of fuels is proposed to meet the demand for accurate combustion analysis. A comprehensive dataset of ignition delays was generated using a random sampling technique across different temperatures and pressures, focusing on hydrocarbon fuels with 1–4 carbon atoms. Two machine learning models, an artificial neural network and a graph convolutional network, are trained on this dataset, and their prediction performance was evaluated. A transfer learning framework was subsequently developed, enabling the models trained on smaller molecules (1–3 carbon atoms) to predict ignition delays for larger molecules (4 carbon atoms) with minimal additional data. The proposed framework demonstrated reliable and high prediction accuracy, achieving a high level of reliability for fuels with limited experimental measurements. This approach offers significant potential to streamline the prediction of ignition delays for novel fuels, reducing the dependence on resource-intensive experiments and complex simulations while contributing to the advancement of clean and efficient energy technologies.
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institution Kabale University
issn 2666-5468
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publisher Elsevier
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series Energy and AI
spelling doaj-art-92547cd1726b412685c7d3d006bed5b62025-01-27T04:22:22ZengElsevierEnergy and AI2666-54682025-01-0119100467Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networksMo Yang0Dezhi Zhou1UM-SJTU Joint Institute, Shanghai Jiao Tong University, Shanghai, 200240, ChinaCorresponding author.; UM-SJTU Joint Institute, Shanghai Jiao Tong University, Shanghai, 200240, ChinaIn this study, a transfer learning-based neural network approach to predict ignition delays for a variety of fuels is proposed to meet the demand for accurate combustion analysis. A comprehensive dataset of ignition delays was generated using a random sampling technique across different temperatures and pressures, focusing on hydrocarbon fuels with 1–4 carbon atoms. Two machine learning models, an artificial neural network and a graph convolutional network, are trained on this dataset, and their prediction performance was evaluated. A transfer learning framework was subsequently developed, enabling the models trained on smaller molecules (1–3 carbon atoms) to predict ignition delays for larger molecules (4 carbon atoms) with minimal additional data. The proposed framework demonstrated reliable and high prediction accuracy, achieving a high level of reliability for fuels with limited experimental measurements. This approach offers significant potential to streamline the prediction of ignition delays for novel fuels, reducing the dependence on resource-intensive experiments and complex simulations while contributing to the advancement of clean and efficient energy technologies.http://www.sciencedirect.com/science/article/pii/S2666546824001332Ignition delayFuel combustion propertiesTransfer learningArtificial neural networkGraph convolutional network
spellingShingle Mo Yang
Dezhi Zhou
Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks
Energy and AI
Ignition delay
Fuel combustion properties
Transfer learning
Artificial neural network
Graph convolutional network
title Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks
title_full Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks
title_fullStr Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks
title_full_unstemmed Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks
title_short Ignition delay prediction for fuels with diverse molecular structures using transfer learning-based neural networks
title_sort ignition delay prediction for fuels with diverse molecular structures using transfer learning based neural networks
topic Ignition delay
Fuel combustion properties
Transfer learning
Artificial neural network
Graph convolutional network
url http://www.sciencedirect.com/science/article/pii/S2666546824001332
work_keys_str_mv AT moyang ignitiondelaypredictionforfuelswithdiversemolecularstructuresusingtransferlearningbasedneuralnetworks
AT dezhizhou ignitiondelaypredictionforfuelswithdiversemolecularstructuresusingtransferlearningbasedneuralnetworks