2019
DOI: 10.1002/ep.13128
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Decision tree‐based modeling of CO2 equilibrium absorption in different aqueous solutions of absorbents

Abstract: In absorption‐based CO2 removal processes, one of the most important parameters that must be determined is the equilibrium solubility of CO2 in solvents. This study is the first time to employ the extremely randomized trees, Extra Trees, methodology to develop an Extra Trees model for the CO2 loading capacity of various absorbents. The ability of the proposed decision tree‐based model in estimation of CO2 solubility values was compared to that of the previously presented models on the basis of the adaptive neu… Show more

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Cited by 33 publications
(9 citation statements)
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“…RF consists of thousands of decision trees, that were built in different bootstrapped data to lower the variance and enhance the power ability of the RF machine. Additionally, during the tree building procedure, a limited number of features are randomly chosen utilizing the cross-validation process, which assists in de-correlate the input trees and consequently improves the model precision 31 , 32 . Different patterns of RF hyperparameters were applied, including the maximum depth of the tree, the maximum features to be counted when splitting the node in every single tree, and the number of trees that were used to build the forest (N of estimators).…”
Section: Methodsmentioning
confidence: 99%
“…RF consists of thousands of decision trees, that were built in different bootstrapped data to lower the variance and enhance the power ability of the RF machine. Additionally, during the tree building procedure, a limited number of features are randomly chosen utilizing the cross-validation process, which assists in de-correlate the input trees and consequently improves the model precision 31 , 32 . Different patterns of RF hyperparameters were applied, including the maximum depth of the tree, the maximum features to be counted when splitting the node in every single tree, and the number of trees that were used to build the forest (N of estimators).…”
Section: Methodsmentioning
confidence: 99%
“…RF technique includes many decision trees (DTs) that attain great performance in a low-dimensional data set. In RF, many trees are structured together to overcome the overfitting problem in the single DT technique by adjusting different hyper-parameters to improve the model accuracy [ 32 ].…”
Section: Introductionmentioning
confidence: 99%
“…For this reason, theoretical approaches for computing the phase equilibria of mixtures of gases and liquids have been widely used. 16 − 19 Unlike classical thermodynamic models, molecular-based methods account for the strong molecular interactions present in associating liquids. 5 In the past few decades, molecular simulation has emerged as a powerful tool for using microscopic information of associating liquids to predict their macroscopic behavior.…”
Section: Introductionmentioning
confidence: 99%
“…While traditionally phase equilibrium data are obtained from experimental measurements, such an approach is not always feasible, especially if high pressures and/or temperatures are required, and when dangerous gases, such as H 2 S, are involved. For this reason, theoretical approaches for computing the phase equilibria of mixtures of gases and liquids have been widely used. Unlike classical thermodynamic models, molecular-based methods account for the strong molecular interactions present in associating liquids . In the past few decades, molecular simulation has emerged as a powerful tool for using microscopic information of associating liquids to predict their macroscopic behavior. , In addition to providing thermodynamic and transport data, molecular simulation can also be used to investigate the microscopic structure of solvents and to understand absorption mechanisms. , …”
Section: Introductionmentioning
confidence: 99%