Predicting methods for sulfur removal from model oils using COSMO-RS and partition coefficient

Efficient removal of benzene from cyclohexane-benzene mixtures using deep eutectic solvents – COSMO-RS screening and experimental validation

“…The mathematical expressions for the interaction energies, chemical potential, and activity coefficient derived by Klamt et al can be referred to their works [27,28], and have also been summarised in our previous works [29][30][31]. COSMO-RS has been used for conducting various thermodynamic predictions and validations for critical processes such as denitrification [31,32], desulfurization [33,34] and the separation of aromatic and aliphatic mixtures [5,35,36].…”

Effect of cation alkyl chain length on liquid-liquid equilibria of {ionic liquids + thiophene + heptane}: COSMO-RS prediction and experimental verification

“…In this case, i and j refer to thiophene and heptane, respectively. These two parameters are widely used to evaluate the separation ability of a solvent for a specific task [11,20,22,24].…”

Screening of ionic liquids for solvent-sensitive extraction –with deep desulfurization as an example

“…These two parameters are widely used to evaluate the separation ability of a solvent for a specific task (Jork et al, 2005;Kumar and Banerjee, 2009;Wilfred et al, 2013),…”

“…extractive capacity and selectivity of solvent, based on the infinite dilution activity coefficient (Anantharaj and Banerjee, 2010;Wilfred et al, 2013;Lei et al, 2006;Lei et al, 2007;Jork et al, 2005;Tian et al, 2010). However, as mentioned above, these two parameters are not adequate for evaluating the extractive performances of solvents in solventsensitive systems.…”

“…Comparing with the VOCs, innovative solvents ionic liquids (ILs) have several overwhelming advantages, such as negligible vapor pressure, high thermal stability, designable and tunable character, and so on (Earle and Seddon, 2000). Therefore, ILs have been regarded as potential green alternatives of organic solvents in many processes, such as extraction of metal ions and organics from aqueous solutions (Visser et al, 2001), gas separation (Zhang et al, 2012), separation of aromatic compounds from aliphatic compounds (Arce et al, 2007a(Arce et al, , 2007bMeindersma et al, 2005;Zhou et al, 2012), desulfurization and denitrogenation of fuels (Alonso et al, 2007;Anantharaj and Banerjee, 2013;Wilfred et al, 2013;Rodríguez-Cabo et al, 2013), and separation of biomolecules and drugs (Freire et al, 2010).…”