Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach
The solubility of CO<sub>2</sub> in brine systems is critical for both carbon storage and enhanced oil recovery (EOR) applications. In this study, Gaussian Process Regression (GPR) with eight different kernels was optimized using the Grey Wolf Optimizer (GWO) algorithm to model this impo...
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2025-08-01
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| Online Access: | https://www.mdpi.com/1996-1073/18/15/4205 |
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| author | Seyed Hossein Hashemi Farshid Torabi Paitoon Tontiwachwuthikul |
| author_facet | Seyed Hossein Hashemi Farshid Torabi Paitoon Tontiwachwuthikul |
| author_sort | Seyed Hossein Hashemi |
| collection | DOAJ |
| description | The solubility of CO<sub>2</sub> in brine systems is critical for both carbon storage and enhanced oil recovery (EOR) applications. In this study, Gaussian Process Regression (GPR) with eight different kernels was optimized using the Grey Wolf Optimizer (GWO) algorithm to model this important phase behavior. Among the tested kernels, the ARD Matern 3/2 and ARD Matern 5/2 kernels achieved the highest predictive accuracies, with R<sup>2</sup> values of 0.9961 and 0.9960, respectively, on the test data. This demonstrates superior performance in capturing CO<sub>2</sub> solubility trends. The GWO algorithm effectively tuned the hyperparameters for all kernel configurations, while the ARD capability successfully quantified the influence of key physicochemical parameters on CO<sub>2</sub> solubility. The outstanding performance of the ARD Matern 3/2 and ARD Matern 5/2 kernels suggests their particular suitability for modeling complex thermodynamic behaviors in brine systems. Furthermore, this study integrates fundamental thermodynamic principles into the modeling framework, ensuring all predictions adhere to physical laws while maintaining excellent accuracy (test R<sup>2</sup> > 0.98). These results highlight how machine learning can improve CO<sub>2</sub> injection processes, both for underground carbon storage and enhanced oil production. |
| format | Article |
| id | doaj-art-58ff879afcda4c8281df0560bce2368f |
| institution | DOAJ |
| issn | 1996-1073 |
| language | English |
| publishDate | 2025-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Energies |
| spelling | doaj-art-58ff879afcda4c8281df0560bce2368f2025-08-20T03:02:58ZengMDPI AGEnergies1996-10732025-08-011815420510.3390/en18154205Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) ApproachSeyed Hossein Hashemi0Farshid Torabi1Paitoon Tontiwachwuthikul2Energy Systems Engineering, University of Regina, Regina, SK S4S 0A2, CanadaEnergy and Process Systems Engineering, University of Regina, Regina, SK S4S 0A2, CanadaClean Energy Technologies Research Institute (CETRi), Faculty of Engineering and Applied Science, University of Regina, Regina, SK S4S 0A2, CanadaThe solubility of CO<sub>2</sub> in brine systems is critical for both carbon storage and enhanced oil recovery (EOR) applications. In this study, Gaussian Process Regression (GPR) with eight different kernels was optimized using the Grey Wolf Optimizer (GWO) algorithm to model this important phase behavior. Among the tested kernels, the ARD Matern 3/2 and ARD Matern 5/2 kernels achieved the highest predictive accuracies, with R<sup>2</sup> values of 0.9961 and 0.9960, respectively, on the test data. This demonstrates superior performance in capturing CO<sub>2</sub> solubility trends. The GWO algorithm effectively tuned the hyperparameters for all kernel configurations, while the ARD capability successfully quantified the influence of key physicochemical parameters on CO<sub>2</sub> solubility. The outstanding performance of the ARD Matern 3/2 and ARD Matern 5/2 kernels suggests their particular suitability for modeling complex thermodynamic behaviors in brine systems. Furthermore, this study integrates fundamental thermodynamic principles into the modeling framework, ensuring all predictions adhere to physical laws while maintaining excellent accuracy (test R<sup>2</sup> > 0.98). These results highlight how machine learning can improve CO<sub>2</sub> injection processes, both for underground carbon storage and enhanced oil production.https://www.mdpi.com/1996-1073/18/15/4205CO<sub>2</sub> solubilityGaussian process regressionGrey Wolf OptimizerARD kernelscarbon storageenhanced oil recovery |
| spellingShingle | Seyed Hossein Hashemi Farshid Torabi Paitoon Tontiwachwuthikul Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach Energies CO<sub>2</sub> solubility Gaussian process regression Grey Wolf Optimizer ARD kernels carbon storage enhanced oil recovery |
| title | Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach |
| title_full | Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach |
| title_fullStr | Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach |
| title_full_unstemmed | Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach |
| title_short | Machine Learning-Driven Prediction of CO<sub>2</sub> Solubility in Brine: A Hybrid Grey Wolf Optimizer (GWO)-Assisted Gaussian Process Regression (GPR) Approach |
| title_sort | machine learning driven prediction of co sub 2 sub solubility in brine a hybrid grey wolf optimizer gwo assisted gaussian process regression gpr approach |
| topic | CO<sub>2</sub> solubility Gaussian process regression Grey Wolf Optimizer ARD kernels carbon storage enhanced oil recovery |
| url | https://www.mdpi.com/1996-1073/18/15/4205 |
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