Introducing process simulation in ionic liquids design/selection for separation processes based on operational and economic criteria through the example of their regeneration

Enterprise Ionic Liquids Database (ILUAM) for Use in Aspen ONE Programs Suite with COSMO-Based Property Methods

“…The performance of COSMO-based/Aspen Plus (Aspen HYSYS) methodology to describe the thermodynamic behavior of multiphasic systems involving ILs and conventional chemical compounds has been evaluated in previous works 8,9,25,[30][31][32][33][34] . The obtained predictability of COSMObased/Aspen Plus (Aspen HYSYS) approach for phase equilibrium data of IL mixtures is illustrated in Table 5, including gas-liquid (GLE), vapor-liquid (VLE) and liquid-liquid (LLE) cases.…”

Study of Ionic Liquids as Entrainers for the Separation of Methyl Acetate–Methanol and Ethyl Acetate–Ethanol Systems Using the COSMO-RS Model

“…The solvent preselection is done with the COSMO-RS model to study the variations of ionic liquid (cation−anion) structure and their effect on solubility and selectivity. Ferro et al 50 used the COSMO-RS methodology to determine criteria for the design and selection of ionic liquids to specific applications. The criteria are related to operational and energy consumption in the separation processes.…”

Biodiesel production from microalgae: ionic liquid process simulation

“…Critical properties and density: These properties have been evaluated by means of UNIFAC (Fredenslund et al, 1975;Valderrama and Sanga, 2008), a group contribution method whose parameters for the components of interest (water and bmimCl) are listed in Table 1. The computed density was compared with values derived from a generalised correlation of the normal boiling temperature, the molecular weight and the critical properties, as well as with literature data (Zhang et al, 2006), in order to verify the reliability of the computational method adopted.…”

“…In order to obtain a sustainable biofuel production, the cultivation of bioenergetics crops should not replace that of edible feedstock (Balat, 2011) nor take place on arable land (Dismukes et al, 2008). On the contrary, the use of biological waste and crops from non-arable land should be promoted (Gomez et al, 2008;Jefferson, 2008) (second and third generation biofuels), maintaining the economic competitiveness of the production processes (Hill et al, 2006).…”