Modeling of carbon dioxide solubility in ionic liquids based on group method of data handling

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Hamed Moosanezhad-Kermani - , University of Tehran (Author)
  • Farzaneh Rezaei - , Shahid Bahonar University of Kerman (Author)
  • Abdolhossein Hemmati-Sarapardeh - , Shahid Bahonar University of Kerman, Jilin University (Author)
  • Shahab S. Band - , Duy Tan University, National Yunlin University of Science and Technology (Author)
  • Amir Mosavi - , Norwegian University of Life Sciences, Óbuda University, Thuringian Institute of Sustainability and Climate Protection, Oxford Brookes University (OBU), János Selye University, TUD Dresden University of Technology (Author)

Abstract

Due to industrial development, the volume of carbon dioxide (CO2) is rapidly increasing. Several techniques have been used to eliminate CO2 from the output gas mixtures. One of these methods is CO2 capturing by ionic liquids (ILs). Computational models for estimating the CO2 solubility in ILS is of utmost importance. In this research, a white box model in the form of a mathematical correlation using the largest data bank in literature is presented by the group method of data handling (GMDH). This research investigates the application of GMDH intelligent method as a powerful computational approach for predicting CO2 solubility in different ionic liquids with temperature lower and upper than 324 K. In this regard, 4726 data points including the solubility of CO2 in 60 ILs were used for model development Moreover, seven different ionic liquids were selected to perform the external test. To evaluate the validity and efficiency of the suggested model, regression analysis was implemented on the actual and estimated target values. As a result, a proper fit between the experimental and predicted data was obtained and presented by various figures and statistical parameters. It is also worth noting that the predicted negative values in the proposed models are considered zero. Also, the results of the established correlation were compared to other proposed models exist in the literature of ionic liquids. The terminal form of the models suggested by GMDH approach and obtained based on temperature are two simple mathematical correlations by exerting input parameters of temperature (T), pressure (P), critical temperature (Tc), critical pressure (Pc) and, acentric factor (ω) which does not suffer from the black box property of other neural network algorithms. The model suggested in this work, would be a promising one which can act as an efficient predictor for CO2 solubility estimation in ILs and is capable of being used in different industries.

Details

Original languageEnglish
Pages (from-to)23-42
Number of pages20
JournalEngineering applications of computational fluid mechanics
Volume15
Issue number1
Publication statusPublished - 2021
Peer-reviewedYes

Keywords

Keywords

  • Artificial Intelligence, carbon dioxide, group method of data handling (GMGH), Ionic liquid, machine learning, solubility