Publications Scientifiques
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Item Rigorous Explainable Artificial Intelligence Models for Predicting CO2-Brine Interfacial Tension: Implications for CO2 Sequestration in Saline Aquifers(American Chemical Society, 2025) Nait Amar, Menad; Youcefi, Mohamed Riad; Alqahtani, Fahd Mohamad; Djema, Hakim; Ghasemi, MohammadCarbon capture and sequestration (CCS) is an attractive approach for reducing carbon dioxide (CO2) emissions, with saline aquifers offering promising sites for long-term sequestration. Interfacial tension (IFT) between CO2 and brine plays a crucial role in the trapping efficiency. This study develops explainable artificial intelligence (XAI) models to accurately predict the IFT in CO2–brine systems. Three advanced machine learning models, namely, Super Learner (SL), Elman Neural Network (ENN), and Power Law Ensemble Model, were implemented based on a data set comprising 2616 measurements. Among the established paradigms, SL achieved the highest accuracy (RMSE = 0.7813 and R2 = 0.9953) across diverse conditions. To enhance model transparency, Local Interpretable Model-agnostic Explanations and SHAP (SHapley Additive Explanations) interpretability techniques were employed, confirming strong alignment with experimental trends. Comparative analysis further demonstrated that the SL scheme surpasses existing literature models. Overall, this study highlights the effectiveness of XAI-based predictive modeling for accurately estimating the CO2–brine IFT under diverse operational conditions. Future implementation in real CCS projects can offer valuable insights into injection strategies, trapping mechanisms, and long-term formation stabilityItem Rigorous Explainable Artificial Intelligence Models for Predicting CO2-Brine Interfacial Tension: Implications for CO2 Sequestration in Saline Aquifers(American Chemical Society, 2025) Nait Amar, Menad; Youcefi, Mohamed Riad; Alqahtani, Fahd Mohamad; Djema, Hakim; Ghasemi, MohammadCarbon capture and sequestration (CCS) is an attractive approach for reducing carbon dioxide (CO2) emissions, with saline aquifers offering promising sites for long-term sequestration. Interfacial tension (IFT) between CO2 and brine plays a crucial role in the trapping efficiency. This study develops explainable artificial intelligence (XAI) models to accurately predict the IFT in CO2–brine systems. Three advanced machine learning models, namely, Super Learner (SL), Elman Neural Network (ENN), and Power Law Ensemble Model, were implemented based on a data set comprising 2616 measurements. Among the established paradigms, SL achieved the highest accuracy (RMSE = 0.7813 and R2 = 0.9953) across diverse conditions. To enhance model transparency, Local Interpretable Model-agnostic Explanations and SHAP (SHapley Additive Explanations) interpretability techniques were employed, confirming strong alignment with experimental trends. Comparative analysis further demonstrated that the SL scheme surpasses existing literature models. Overall, this study highlights the effectiveness of XAI-based predictive modeling for accurately estimating the CO2–brine IFT under diverse operational conditions. Future implementation in real CCS projects can offer valuable insights into injection strategies, trapping mechanisms, and long-term formation stabilityItem Predicting Methane Hydrate Formation Temperature in the Presence of Diverse Brines Using Explainable Artificial Intelligence(American Chemical Society, 2025) Nait Amar, Menad; Zeraibi, Noureddine; Alqahtani, Fahd Mohamad; Djema, Hakim; Benamara, Chahrazed; Saifi, Redha; Gareche, Mourad; Ghasemi, Mohammad; Merzoug, AhmedThisstudy presents three advanced techniques, includingthe leastsquares support vector machine (LSSVM), categorical boosting (CatBoost),and cascaded forward neural network (CFNN), to model methane hydrateformation temperature (MHFT) across various brines under a wide pressurerange. Utilizing a comprehensive data set of nearly 1000 samples,the models underwent rigorous training and testing phases. Graphicalanalyses and statistical assessment confirmed the high accuracy ofthe implemented models, with the CFNN scheme outperforming the others,achieving a total root-mean-square error (RMSE) of 0.3569 and an R2 of 0.9977. Comparison with existing modelsfurther highlighted the CFNN model’s superior performance.Additionally, the Shapley Additive exPlanning (SHAP) method was employedto enhance the aspects related to predictions’ explainabilityby assessing the impact of different inputs on the outcomes. Lastly,the proposed model holds significant potential for advancing industrialand academic applications related to hydrate phenomena
