Sustainable technologies applied to energy-related applications should develop a pivotal role in the next decades. In particular, carbon dioxide capture from flue gases emitted by fossil-fueled power plants should play a pivotal role in controlling and reducing the greenhouse effect. Therefore, the development of new materials for carbon capture purposes has merged as central research line, for which many alternatives have been proposed. Ionic liquids (ILs) have emerged as one of the most promising choices for carbon capture, but in spite of their promising properties, some serious drawbacks have also appeared. Deep eutectic solvents (DESs) have recently been considered as alternatives to ILs that maintain most of their relevant properties, such as task-specific character, and at the same time avoid some of their problems, mainly from economic and environmental viewpoints. DES production from low-cost and natural sources, together with their almost null toxicity and total biodegradability, makes these solvents a suitable platform for developing gas separation agents within the green chemistry framework. Therefore, because of the promising characteristics of DESs as CO2 absorbents and in general as gas separating agents, the state of the art on physicochemical properties of DESs in relationship to their influence on gas separation mechanisms and on the studies of gas solubility in DESs are discussed. The objective of this review work is to analyze the current knowledge on gas separation using DESs, comparing the capturing abilities and properties of DESs with those of ILs, inferring the weaknesses and strengths of DESs, and proposing future research directions on this subject.
The capture of CO 2 from flue gases derived from fossil-fueled power plants and the absorption of CO 2 /H 2 S for natural gas sweetening purposes are two relevant industrial problems closely related to very important environmental, economical, and technological problems that need to be solved. Amine-based technologies are widely used in the industry for these purposes, but they lead to several problems that have led many researchers to pose new alternatives. Ionic liquids (ILs) have emerged in the last few years as promising new acid gas absorbents, and thus, this remarkable interest, in both industry and academia, has led to a large collection of experimental and theoretical studies in which the most important aspects of the absorption process are analyzed. In this review, we show the most relevant conclusions obtained from the analysis of the literature, analyzing the state-of-the-art results, trying to infer the viability of ILs as an alternative to the available amine-based absorption processes, and showing the possible future directions of research.
The large collection of thermophysical properties data for liquids available in the open literature is analyzed, describing its importance for industrial purposes. Although there has been a boom of thermophysical properties measurements for these fluids in the past decade, the reported analysis shows that studies have been centered on a limited number of fluids, whereas data collection for the new family ionic liquids is lacking. Measurements have been performed for limited temperature ranges, and pressure effects on the properties are extremely scarce in the literature; remarkable differences among data from different literature sources are reported. The need of sample purity quantification is analyzed together with the strong effect of these impurities on thermophysical properties. Available predictive models for the studied properties are analyzed together with the quality of their predictions. The main conclusion of this review is to point out the need of further systematic thermophysical studies, including for new environmentally friendly ionic liquids, carried out with interlaboratory comparisons, which allow the development of reference data sets.
Choline chloride + levulinic acid deep eutectic solvent is studied as a suitable material for CO2 capturing purposes. The most relevant physicochemical properties of this solvent are reported together with the CO2 solubility as a function of temperature. The corrosivity of this solvent is studied showing better performance than amine-based solvents. A theoretical study using both density functional theory and molecular dynamics approaches is carried out to analyze the properties of this fluid from the nanoscopic viewpoint, and their relationship with the macroscopic behavior of the system and its ability for CO2 capturing. The behavior of the liquid-gas interface is also studied and its role on the CO2 absorption mechanism is analyzed. The reported combined experimental and theoretical approach leads to a complete picture of the behavior of this new sorbent with regard to CO2, which together with its low cost, and the suitable environmental and toxicological properties of this solvent, lead to a promising candidate for CO2 capturing technological applications.
Ethyl lactate is a green, and economically viable, alternative to traditional solvents whose extensive use and scale-up to industrial level requires a deep and accurate knowledge of its properties in wide pressure-temperature ranges. In this work, the pressure-volume-temperature and pressure-viscosity-temperature behaviors are reported together with several derived properties of remarkable importance for process design purposes. The structure of the liquid is analyzed at the microscopic level using the Density Functional Theory and from classical molecular dynamics simulations. It is shown the competing effect of intra and intermolecular hydrogen bonding mainly through preferred positions. The predictive ability of the forcefield used for molecular dynamics simulations is studied, showing good results for most of the considered properties. Monte Carlo/Gibbs ensemble simulations were carried out to predict the phase equilibria of the fluid, considering the absence of experimental data.
Ionic liquids (ILs) are popular designer green chemicals with great potential for use in diverse energy-related applications. Apart from the well-known low vapor pressure, the physical properties of ILs, such as hydrogen-bond-forming capacity, physical state, shape, and size, can be fine-tuned for specific applications. Natural gas hydrates are easily formed in gas pipelines and pose potential problems to the oil and natural gas industry, particularly during deep-sea exploration and production. This review summarizes the recent advances in IL research as dual-function gas hydrate inhibitors. Almost all of the available thermodynamic and kinetic inhibition data in the presence of ILs have been systematically reviewed to evaluate the efficiency of ILs in gas hydrate inhibition, compared to other conventional thermodynamic and kinetic gas hydrate inhibitors. The principles of natural gas hydrate formation, types of gas hydrates and their inhibitors, apparatuses and methods used, reported experimental data, and theoretical methods are thoroughly and critically discussed. The studies in this field will facilitate the design of advanced ILs for energy savings through the development of efficient low-dosage gas hydrate inhibitors.
A study on the viscosity of eight pyridinium based ionic liquids is reported for wide pressure and temperature ranges. Measurements were performed using an electromagnetic moving piston viscometer. Experimental data were fitted to a Tait-like equation demonstrating good correlations, which was used to calculate pressure/viscosity and temperature/viscosity coefficients. The effect of the involved anions and cation on the ionic liquid viscosity was analyzed from a molecular viewpoint using hole theory, quantum chemistry calculations using density functional theory, and classical molecular dynamics simulations. The analysis of the experimental and computational results shows the complex effects controlling viscosity of studied fluids, including strength of ionic pairs, molecular sizes, and mobility and effects rising from the availability and cavity sizes distributions in pyridinium-based ionic liquids.
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