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

Abstract

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Absorption refrigeration cycles based on ionic liquids: Refrigerant/absorbent selection by thermodynamic and process analysis

“…This approach allows modeling individual units and entire processes at different operating conditions, providing thermodynamic behavior evaluations, kinetic mass transfer, control assessments, energy balances and economic estimations, which introduce new criteria for the best IL selection and allows comparing the performance to conventional technologies. Recently, a free access database (ILUAM01) of 100 common ILs to be used in AspenONE process simulators was published [61,62]. In a previous work, COSMO-based process simulations using Aspen Plus were successfully applied to evaluate the performance of NH3 absorption refrigeration cycles with ILs at different operating conditions [37].…”

Absorption Refrigeration Cycles with Ammonia–Ionic Liquid Working Pairs Studied by Molecular Simulation

“… 18 , 21 Their main advantages are nonvolatility, chemical and thermal stability, and the possibility of tuning their thermodynamic properties by combining varying anions and cations. 15 , 22 , 23 By selecting particular combinations of cations and anions, ILs potentially provide suitable operating temperatures for waste heat applications and might offer wider operating ranges leading to better process flexibility. 15 , 24 To perform a thermodynamic analysis of the absorption refrigeration cycle, the miscibility, the heat capacity, and the enthalpy of absorption of the working fluids are required.…”

“… 15 For the vast majority of ILs the necessary thermodynamic properties (e.g., densities, vapor pressures, heat capacities, refrigerant solubility) have not been investigated or are experimentally very difficult to access. 22 , 23 , 28 − 30 Moreover, the number of possible anion–cation combinations is huge. 23 , 28 , 31 Conducting lab experiments for a large set of ILs is a tedious and, due to the currently high price of ILs, very expensive task.…”

“… 22 , 23 , 28 − 30 Moreover, the number of possible anion–cation combinations is huge. 23 , 28 , 31 Conducting lab experiments for a large set of ILs is a tedious and, due to the currently high price of ILs, very expensive task. Computer simulations provide a convenient and cheap alternative to predict relevant thermodynamic properties of ILs and to gain a better understanding of the underlying physical behavior.…”

“…Alternative methods to predict thermodynamic properties of mixtures are COSMO-based. 23 However, previous studies suggest that the accuracy of these models is often insufficient for mixtures containing ILs. 47 , 48 Especially for NH 3 /IL working pairs the uncertainty can be large.…”