Prediction of H2S solubility in [hmim][Pf6], [hmim][Bf4] and [hmim][Tf2N] using UNIQUAC, NRTL and COSMO-RS

The capability of ionic liquids makes them to be in attendance of many researchers. As for the authority of ionic liquids in solving greenhouse gases, they can be used to emit the environmental pollutant. In this paper, it is attempted to predict the solubility of H2S in [hmim][Pf(6)], [hmim][Bf(4)] and [hmim][Tf2N] by UNIQUAC, NRTL and COSMO-RS models. Since H2S is a toxic pollutant, it is difficult to work on it in the laboratory, therefore an appropriate model will be necessary. By means of parameter optimization, interaction parameters of UNIQUAC and NRTL obtained as a function of temperature. This method increases the accuracy of prediction. The absolute relative deviations for the UNIQUAC and NRTL are the same to some extent in temperature domain used in this paper. But the COSMO-RS model doesn't need experimental data and has the ability to compete with the other models. The models are done in the temperatures of 303.15 to 343.15 K and pressure up to 11 bar. (C) 2016 Elsevier B.V. All rights reserved.