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Rigorous correlations for predicting the solubility of H 2 S in methylimidazolium‐based ionic liquids
Author(s) -
Mesbah Mohammad,
Soroush Ebrahim,
Momeni Masumeh,
Shahsavari Shohreh,
Mofidi Mehdi,
Soltanali Saeed
Publication year - 2020
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.23604
Subject(s) - ionic liquid , solubility , outlier , thermodynamics , reliability (semiconductor) , chemistry , correlation , computer science , mathematics , statistics , physics , organic chemistry , catalysis , power (physics) , geometry
Two general and simple models, a group contribution correlation (model I) and an empirical relation (model II), were proposed to predict the solubility of H 2 S 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 H 2 S solubility in 9 methylimidazolium based ILs and tested through 121 H 2 S 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.