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

► In this paper COSMO-RS methodology is integrated to Aspen Tech's process simulators. ► New criteria for the design/selection of ionic liquids to specific applications are elaborated. ► These criteria are related to the operating conditions and energetic consumptions of the processes. ► The procedure capabilities are demonstrated through the example of the IL regeneration in separation processes.