Measurement and correlation of physicochemical properties of phosphonium-based deep eutectic solvents at several temperatures (293.15  K–343.15  K) for CO 2  capture

Ghaedi, Hosein; Ayoub, Muhammad; Sufian, Suriati; Lal, Bhajan; Shariff, Azmi Mohd

doi:10.1016/j.jct.2017.05.020

Cited by 75 publications

(33 citation statements)

References 55 publications

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“…Moreover, the increase in temperature increases the ionic motions in the PDESs, which in turn increases the chain mobility and the hole size of the PDESs, thereby increasing the permeability of the acid gas through the SLMs. It is a valid argument that the molar free volume of the DESs also increased at the elevated temperatures resulting in the more permeability of the penetrant gas through the SLMs (Ghaedi et al, 2017a). The increment of CO 2 permeability with temperature was also found to be in good agreement with the ILs literature (Jindaratsamee et al, 2011;Santos et al, 2014).…”

Section: Effect Of Temperature On Co 2 Permeabilitysupporting

confidence: 62%

Novel Poly Deep Eutectic Solvents Based Supported Liquid Membranes for CO2 Capture

et al. 2020

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Section: Effect Of Temperature On Co 2 Permeabilitysupporting

confidence: 62%

Novel Poly Deep Eutectic Solvents Based Supported Liquid Membranes for CO2 Capture

et al. 2020

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“…To build a property model for ATPPB-DEG (the mixture of allyl triphenylphosphonium bromide and diethylene glycol), the density, viscosity and CO 2 solubility of ATPPB-DEG were used to regress property parameters. The experimental data was taken from the work by Ghaedi et al (2017a), Ghaedi et al (2017b), Ghaedi et al (2017c). From the sensitivity analysis results, it was concluded that the liquid surface tension, thermal conductivity, heat capacity and vapor pressure do not influence the CO 2 recovery and therefor these properties have been assumed to be the same as for deca-men.…”

Section: Literature Review Of Deep Eutectic Solvents and Economic Anamentioning

confidence: 99%

Process Simulation and Economic Analysis of Pre-combustion CO2 Capture With Deep Eutectic Solvents

et al. 2020

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The purpose of this paper is to identify firstly the most important solvent characteristics in the CO2 capture process and secondly to determine how they contribute to the total cost of CO2 separation and analyze the economic feasibility of current deep eutectic solvents (DESs) in literature. A rate-based modeling approach was adopted to simulate pre-combustion CO2 capture. The effects of the flow model and the number of segments were investigated for the Selexol process. Different mass transfer correlations due to Bravo et al. (1985), Billet and Schultes (1993) and Hanley and Chen (2012) were adopted for the rate-based models and compared with the equilibrium modelling approach. Subsequently, property and process models were developed for a mixture of decanoic acid and menthol, in equal quantities. A physical property study was conducted with this DES. The CO2 solubility is found to be very important in all rate-based models, as expected, but properties such as the surface tension, thermal conductivity, heat capacity and volatility had a minor influence on the absorption performance. The solvent viscosity strongly affects the mass transfer rate when using the Hanley and Chen (2012) correlations, whereas it plays only a small role in the other two sets of correlations. Using a high CO2 solubility as criterion, two mixtures of allyl triphenylphosphonium bromide (ATPPB) and diethylene glycol (DEG) were screened out from literature. The conventional Selexol process was set as the benchmark for the evaluation of the performances of these DESs. The optimum capture cost for Selexol process is 27.22, 26.66 and 30.84 $2018/tonne CO2 for the adopted correlations, respectively. When employing two of the three studied mass transfer correlations, the estimated process costs for a capture process using this DES can be similar to the costs of the Selexol process. However, when the liquid viscosity strongly affects the mass transfer rate, as is the case when using the Hanley and Chen (2012) correlations, the Selexol process remains more economical. This strongly indicates the need for further experimental and modelling studies on mass transfer rates in absorption columns (with higher viscosity liquids) to help directing the development of suitable DESs for pre-combustion CO2 capture.

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“…In order to develop the GC and AC models, the most up-to-date databanks of various types of DESs were collected from the literature. The databanks involved 1239 data points from 149 DESs for density 35 – 66 , 1117 data points from 142 DESs for refractive index 11 , 39 , 41 – 43 , 47 , 50 , 54 , 57 , 59 , 63 , 64 , 67 – 87 , 461 data points from 24 DESs for heat capacity 59 , 70 , 88 – 93 , 398 data points from 37 DESs for speed of sound 42 , 43 , 67 , 72 , 75 , 77 , 82 , 94 – 100 and 538 data points from 98 DESs for surface tension 47 , 63 , 71 , 80 , 86 , 87 , 101 – 116 . All of the data were at atmospheric pressure.…”

Section: Methodsmentioning

confidence: 99%

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

Haghbakhsh

Raeissi

Duarte

2021

Sci Rep

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The urgency of advancing green chemistry from labs and computers into the industries is well-known. The Deep Eutectic Solvents (DESs) are a promising category of novel green solvents which simultaneously have the best advantages of liquids and solids. Furthermore, they can be designed or engineered to have the characteristics desired for a given application. However, since they are rather new, there are no general models available to predict the properties of DESs without requiring other properties as input. This is particularly a setback when screening is required for feasibility studies, since a vast number of DESs are envisioned. For the first time, this study presents five group contribution (GC) and five atomic contribution (AC) models for densities, refractive indices, heat capacities, speeds of sound, and surface tensions of DESs. The models, developed using the most up-to-date databank of various types of DESs, simply decompose the molecular structure into a number of predefined groups or atoms. The resulting AARD% of densities, refractive indices, heat capacities, speeds of sound and surface tensions were, respectively, 1.44, 0.37, 3.26, 1.62, and 7.59% for the GC models, and 2.49, 1.03, 9.93, 4.52 and 7.80% for the AC models. Perhaps, even more importantly for designer solvents, is the predictive capability of the models, which was also shown to be highly reliable. Accordingly, very simple, yet highly accurate models are provided that are global for DESs and needless of any physical property information, making them useful predictive tools for a category of green solvents, which is only starting to show its potentials in green technology.

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Measurement and correlation of physicochemical properties of phosphonium-based deep eutectic solvents at several temperatures (293.15 K–343.15 K) for CO 2 capture

Cited by 75 publications

References 55 publications

Novel Poly Deep Eutectic Solvents Based Supported Liquid Membranes for CO2 Capture

Novel Poly Deep Eutectic Solvents Based Supported Liquid Membranes for CO2 Capture

Process Simulation and Economic Analysis of Pre-combustion CO2 Capture With Deep Eutectic Solvents

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

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