Rigorous correlations for predicting the solubility of H2S in methylimidazolium-based ionic liquids |
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| Authors: | Mohammad Mesbah Ebrahim Soroush Masumeh Momeni Shohreh Shahsavari Mehdi Mofidi Saeed Soltanali |
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| Affiliation: | 1. Young Researchers and Elites Club, Science and Research Branch, Islamic Azad University, Tehran, Iran;2. Young Researchers and Elites Club, Ahvaz Branch, Islamic Azad University, Ahvaz, Iran;3. Department of Chemical Engineering, Sahand University of Technology, Tabriz, Iran;4. Young Researchers and Elite Club, Shiraz Branch, Islamic Azad University, Shiraz, Iran;5. Department of Chemical Engineering, Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Tehran, Iran;6. Catalysis Technologies Development Division, Research Institute of Petroleum Industry (RIPI), Tehran, Iran |
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| Abstract: | Two general and simple models, a group contribution correlation (model I) and an empirical relation (model II), were proposed to predict the solubility of H2S in methylimidazolium based ionic liquids (ILs) over wide range of temperatures (303.15-363.15 K) and pressures (60.8-2016.8 kPa). The constants of the suggested functionality relations were found via the Nelder-Mead simplex algorithm. Both correlations were trained with 407 data points of H2S solubility in 9 methylimidazolium based ILs and tested through 121 H2S solubility data points of 3 different methylimidazolium based ILs to ensure generality. A comprehensive statistical evaluation showed that both suggested correlations are vigorous and have satisfactory error trends. The dataset was subjected to a statistical outlier diagnostic test and the validity of the database was confirmed. In addition, the sensitivity analysis revealed that the experimental data and both models have the same responses toward pressure and temperature, which indicates the reliability of the proposed correlations. |
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| Keywords: | group contribution H2S solubility hydrogen sulphide ionic liquids (ILs) methylimidazolium |
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