Modelling carbon dioxide solubility in ionic liquids

Abstract

Solubility information for CO2 in different ionic liquids, ILs, in part can potentially be used to select a specific IL for the separation of CO2 from hydrocarbon fluids. Unfortunately, not all CO2–IL systems have been experimentally described at similar temperatures and pressures; therefore, a direct comparison of performance by process simulation is not always possible. In the extreme cases, the design of a CO2 separation process may require predicting the CO2–IL equilibria for which there are no available solubility data. To address the need for this information, a semi‐empirical correlation was developed to estimate the dissolution of CO2 in CO2–IL solvent systems. The theoretical COSMO–RS calculation method was used to calculate the chemical potential of CO2 in a wide variety of ILs and the Soave–Redlich–Kwong equation was used to calculate the fugacity coefficient of the CO2 vapour phase. The model was correlated with available literature data, yielding an average error of AAR = 23% and small bias. © 2012 Canadian Society for Chemical Engineering

Properties of carbon dioxide absorption and reduction by sodium borohydride under atmospheric pressure

“…However, this process is energy-intensive for the regeneration of solvent and is also plagued by corrosion problems. Currently, more attention has been focused on CO 2 absorption by ionic liquids (ILs) [7]. Nevertheless, the complicated design and synthesis for highly effective ILs and poor economics may be major obstacles to industrial applications and future developments [8].…”

Atomistic modeling toward high-efficiency carbon capture: A brief survey with a few illustrative examples

“…The emphasis in that work was placed on establishing the validity of the above computational scheme and looking for consistency in solubility trends rather than the optimization of the accuracy of the predicted solubility. When a larger dataset of CO 2 solubility measurements is included, the computed solubility using the above parameter values displays a significant bias, as recently pointed out . As a remedy, these authors suggested an additional pressure‐dependent parameter in the fit for .…”

“…When a larger dataset of CO 2 solubility measurements is included, the computed solubility using the above parameter values displays a significant bias, as recently pointed out. [79] As a remedy, these authors suggested an additional pressure-dependent parameter in the fit for l ig à ðTÞ. We show below that it is unnecessary to introduce any additional parameters, either involving pressure-dependence or nonlinear dependence on temperature.…”

Absorption of carbon dioxide by hydrogen donor under atmospheric pressure

“…In addition, most technologies of CO 2 absorption are energy-intensive and are also plagued by corrosion problems, owing to the regeneration of solvent. Currently, more attention has been focused on CO 2 absorption by ILs [12]. Nevertheless, the complicated design and synthesis of high effective ILs and poor economics may be major obstacle to its industrial application and future development [13].…”