Vapor-liquid Equilibrium Behavior Research Articles

CO2 solubility and amine volatility data for low-concentration solutions of MEA, AMP, PZ and CESAR-1 blend (AMP/PZ)

Water-wash section(s) effectively reduce amine compound emissions in amine-based carbon capture processes. Reliable predictions of the behavior of these emission control technologies depend on detailed understanding of the vapor-liquid equilibrium (VLE) of water wash system. However, existing vapor-liquid equilibrium data in the literature focus primarily on solvent-like amine concentrations in amine–CO2–H2O systems; hence, new low-concentration VLE data are needed. In this work, the CO2 solubility in low-concentration solutions of monoethanolamine (MEA), piperazine (PZ), 2-amino-2-methyl-1-propanol (AMP), and AMP/PZ blend (CESAR-1) was investigated for temperatures between 303 and 353 K at atmospheric pressure. Additionally, amine volatility measurements for CO2-loaded low-concentration solutions of MEA, PZ, AMP and CESAR-1 were performed in the range of 313–373 K and 8–96 kPa. Overall, the data show that the CO2 partial pressure increases with increasing CO2 loading and temperature. Similarly, the amine partial pressure increases with increasing pressure and temperature. The new experimental data were compared with two existing VLE models using electrolyte non-random two-liquid activity coefficient models to evaluate the ability of the latter to predict vapor-liquid equilibrium behavior. Both CO2 solubility and amine volatility predictions by the models tend to show significant deviations. The comparison highlight the need for such low-concentration data for all systems studied. This data shall serve to improve existing water-wash modeling tools.

Modeling of thermophysical properties and vapor-liquid equilibrium using Gaussian process regression

Thermophysical properties are essential in the numerical simulation of fluid flows and combustion in propulsion and power-generation systems. Existing property evaluation tools, such as NIST REFPROP, analytical methods based on cubic equations of state (EOSs), and deep neural network (DNN) models, tend to be inaccurate against experimental data in certain thermodynamic regions. The objective of this paper is to develop data-driven models based on Gaussian process regression (GPR), which correlates directly with experimental data in a statistical manner and can accurately predict thermodynamic and transport properties and vapor-liquid equilibrium (VLE) behavior across the entire range of thermodynamic regions. Different kernel functions in GPR training are examined for various data types. As specific examples, experimental property data of carbon dioxide and VLE behavior of four binary mixtures are collected extensively from literature for training and validation of GPR models. Besides, physical constraint is incorporated during the training process of VLE behavior via logit transformation. The results show that GPR with exponential kernel presents excellent performance for evaluation of density, constant-pressure specific heat, speed of sound, and viscosity, with prediction errors substantially lower than those of Peng-Robinson (PR) EOS, NIST REFPROP, and DNN models. GPR with Gaussian kernel shows minimal errors (less than 0.6%) for determination of saturation pressure and gas-phase composition against experimental counterparts for VLE of hydrocarbon/nitrogen binary mixtures. The developed GPR models can be programmed and incorporated into large-scale simulations to achieve more reliable calculations of practical fluid flows where real-gas effect is important.

Vapor-liquid phase equilibria behavior prediction of binary mixtures using machine learning

Basic thermodynamic data plays an important role in chemical applications. However, the traditional acquisition of thermodynamic data through experiments is laborious. Thermodynamic data prediction is considered as an alternative to the experiments, especially when qualitative analysis is needed prior to experimental studies. In this work, we report a successful machine-learning based approach to predict the fundamental thermodynamics characteristics of vapor–liquid equilibrium (VLE). A new dataset of the VLE experimental data of 210 binary mixtures with screened descriptors was constructed. The obtained results show that the VLE characteristics of the target system can be fully revealed by machine learning methods and random forest has more excellent predictive ability on the VLE behavior than the neural network. This work provides a new approach to the prediction of VLE data and useful information for the mechanistic study on the VLE phenomenon.

Vapor-liquid equilibria behavior of binary and ternary polymer-polymer alcoholic solutions

Aiming at scrutinizing the soluting effect occurring in alcoholic systems composed of two polymers (polymer 1 + polymer 2 + alcohol systems), the systematic isopiestic measurements of the vapor-liquid equilibrium behavior were carried out on some ternary ethanolic, propanolic, and butanolic solutions of two polymers at 298.1 K. In order to cover a wide range of hydrophilic and lipophilic behaviors, the polymers: polyethylene glycol 400 (PEG400), polyethylene glycol dimethyl ether 250 (PEGDME250), polyethylene glycol dimethyl ether 500 (PEGDME500), polypropylene glycol 400 (PPG400), polypropylene glycol 1000 (PPG1000) and polyvinylpyrrolidone 10000 (PVP10000) were selected. Deviations of iso-solvent activity lines from the linear isopiestic relation (LIR) were considered as a benchmark to identify the soluting effects of polymer 1 on polymer 2 in these systems. It was found that all the investigated solutions containing PVP show the soluting-in effect (positive deviation from the linear isopiestic relation), and the other solutions including PEG-PPG, PEG-PEGDME, PPG-PEGDME, PEG-PEG, PPG-PPG and PEGDME-PEGDME show the semi-ideal (linear isopiestic relation) behavior. The effect of alcohol type, polymer type, and polymer molar mass on the solvent activity of binary alcohol-polymer solutions as well as on the deviations of ternary systems from the semi-ideal behavior was studied. Finally, the obtained solvent activity data were used to calculate the vapor pressure of solutions as a function of concentration, and the segment-based local composition Wilson model was used to correlate the experimental solvent activity data.

Study of isobaric vapor–liquid equilibria of diethyl carbonate + ethylene carbonate for lithium-ion battery electrolyte solvent recycling

The limited life-cycle of lithium-ion batteries (LIBs) remains a significant issue for the industry. Recycling electrolytes from the batteries is one crucial aspect of LIBs recycling, which can conserve resources and reduce environmental pollution. The vapor–liquid equilibrium (VLE) data and models for the currently widely used carbonates, such as ethylene carbonate (EC), dimethyl carbonate (DMC), propylene carbonate (PC), diethyl carbonate (DEC), and ethyl methyl carbonate (EMC), can play an important role in designing the recycling process. In this work, the VLE data of DEC and EC is measured for the first time. A sophisticated equation of state, the Perturbed-Chain Polar Statistical Associating Fluid Theory, is used to establish the VLE model, not only for the newly measured DEC and EC system but also for other carbonates and their mixtures. Through the discussion of how the molecular characteristics of carbonates influence the VLE behavior, the dipolar character of linear carbonate molecules has been revealed. This demonstrates the power and importance of sophisticated modelling approaches in investigating molecular behavior of electrolyte solvents in the context of LIB recycling. Hence, this work provides valuable experimental and model data for designing recycling processes of electrolyte solvents and offers molecular insight into carbonates.

Implementation of solvation free energy framework to predict the vapor-liquid equilibrium behaviors for the water–hydrazine and ethanol–water azeotropic systems

An azeotrope is a special vapor–liquid equilibrium in which the composition of two coexisting phases is equal. Due to its strong deviation from the Raoult’s law, it poses a great challenge to the simple distillation process and the understanding of fundamental molecular mechanisms. In this study, we calculated the coupling work of solute species based on the solvation free energy framework to predict the vapor–liquid equilibrium (VLE) behavior and azeotrope point of mixtures. Two prototypical binary mixtures: the negative water-hydrazine and positive ethanol–water azeotrope were investigated using molecular dynamic simulations and the OPLS-AA force field. All the simulations were performed with the TIP3P water model, because it has a good capability to represent enthalpy properties. The molecular models of hydrazine and ethanol have been re-parameterized to reproduce the density and solvation free energy properties of pure substance. Using free energy perturbation simulation, the coupling work of each substance was studied against liquid mixture composition. The coupling work is also translated to x-y or T-x-y phase diagrams for comparison with available experimental data. The tendency of two azeotropes is that the more volatile components experience the less pronounced coupling work changes in their local environments as the azeotropes form. The coupling work is also divided into van der Waals and Coulomb contributions to investigate the interactions between particles. Lithium Chloride was investigated as an entrainer for the separation of ethanol–water system. The coupling works of binary mixtures were calculated at different salt concentrations to study the salt-out effect for the violate species and salt-in effect for the less violate species. By adding LiCl, it was found that the azeotrope point was efficiently eliminated at a salinity 0.05 mol fraction at 1 bar. All the results show that the simulation methodology of coupling work are reliable for calculating the liquid–vapor equilibrium behavior. This method is also valuable for selecting and designing new extractants for distillation process.

Estimating VLE behavior from SLE data in aqueous mixtures of choline chloride-sorbitol deep eutectic solvents: Experimental investigation and thermodynamic modeling using the e-NRTL model

Knowledge of solid–liquid equilibria (SLE) and vapor–liquid equilibria (VLE) for mixtures containing deep eutectic solvents (DESs) is of paramount importance. We have conducted experiments to obtain additional data for SLE systems and then used the e-NRTL model to predict the VLE behavior in mixtures of DESs comprised of choline chloride (ChCl), sorbitol (S), and water (W). The systems under investigation include three 2-component systems (S/W, ChCl/W, ChCl/S), and one 3-component system (DES/W) where the DES is obtained by mixing ChCl and S at a molar ratio of 1. Using the e-NRTL activity coefficient model, the adjusted binary interaction parameters of the proposed model are determined solely from the experimental SLE data obtained from this work and also those in the literature. There is an excellent agreement between the SLE solubility data and the e-NRTL results. The tuned model is then used to predict the bubble pressure in three aqueous systems (S/W, ChCl/W, and DES/W) with an overall AARD value of 2.21%. The excellent agreement between the experimental and predicted VLE data demonstrates the viability of the proposed thermodynamic modelling framework to represent the equilibrium systems containing DESs. The outcome from our study can be used to relate the SLE and VLE data without the need to perform experiments for both cases for the given system of interest. Compared to the VLE experiments, the SLE tests are much simpler and safer because there is little compressibility and the effect of pressure on solubility is minimal which makes it possible to conduct SLE tests at room conditions (at least for liquids with negligible non-ideality). Therefore, conducting the high-pressure VLE calculations without the need to perform VLE experiments and through SLE experimental data alone will be of practical significance.

ß-Damascenone Highly Diluted in Hydroalcoholic Mixtures: Phase Equilibrium Measurements, Thermodynamic Modeling, and Simulation of a Batch Distillation

ß-Damascenone is a carotenoid-derived compound that plays a key role in the characteristic aroma of wines and distilled spirits. Despite the valuable contribution of this compound to the flavor quality of alcoholic beverages, little is known about its volatility and its vapor–liquid equilibrium behavior in hydroalcoholic mixtures of different compositions. Such information is essential to be able to choose the right thermodynamic model for ß-damascenone when using a distillation process simulation software to gain a better understanding of the behavior of ß-damascenone during spirit distillation. In this context, this work presents new experimental VLE data for ß-damascenone highly diluted in ethanol + water mixtures. The measurements were carried out in a recirculation ebulliometer operating at 101.3 kPa for ethanol mass fractions between (0.10 and 0.79) g·g–1. Activity coefficient model NRTL was used to correlate the experimental data and binary interaction parameters. The parameters obtained for the NRTL model were employed to simulate a laboratory-scale batch distillation of a model solution of ß-damascenone, ethanol, and water. The simulation results were well fitted to experimental data. This approach can be further extended to other compounds that contribute to the aroma of distilled spirits, and the results can be transferred to simulate larger scale distillations.

Capturing low-carbon alcohols from CO2 gas with ionic liquids

• The IL ([EMIM][DEP]) can efficiently capture the higher alcohols from CO 2 gas mixture; • Interaction mechanisms were identified at the molecular level; • The relationship between VLE behaviors and HB interactions was explored; • Capturing higher alcohols from CO 2 gas with ILs is a process intensification technology. Ionic liquids (ILs) as green solvents were first proposed to capture low-carbon alcohols (e.g., methanol, ethanol and 1-propanol) from the syngas tail gas. The vapor–liquid equilibrium (VLE) data for the binary mixtures of low-carbon alcohols with 1-ethyl-3-methyl-imidazolium diethyl phosphate ([EMIM][DEP]) were experimentally measured. The UNIFAC-Lei model demonstrated the best performance in predicting VLE data among all the investigated predictive molecular thermodynamic models. However, the COSMO-SAC-UNIFAC model could reproduce the low-carbon alcohols gas absorption characteristics without any experimental data input, and was more accurate than the original UNIFAC and COSMO-SAC models in this case. Using quantum chemistry calculations and wave function analysis, the separation mechanism was revealed on a molecular level. The relationship between thermodynamic behaviors and hydrogen bond interactions in CO 2 –low-carbon alcohols–[EMIM][DEP] systems was systematically explored. Additionally, theoretical guidance for the design and screening of task-specific ILs in condensable gas separation processes was provided.

Study on the Isobaric Vapor–Liquid Equilibrium Behavior of the Methanol + Methyl Ethyl Ketone System Using Ionic Liquids as Extractants and Model Correlation

Study on the Isobaric Vapor–Liquid Equilibrium Behavior of the Methanol + Methyl Ethyl Ketone System Using Ionic Liquids as Extractants and Model Correlation

Separation of ethanol – water mixture by extractive distillation using pyridinium-based ionic liquid 1-ethyl-3-methylpyridinium ethylsulfate

Ionic liquids (ILs) have received considerable attention for their use in chemical industry and are considered to be an alternative to conventional entrainers in extractive distillation, because of their ability to selectively separate azeotropic or close boiling mixtures. In this work, an extractive distillation process was investigated, comparing the pyridinium-based (IL) “1-ethyl-3-methylpyridinium ethylsulfate” [EMPy][ESO4] with the ethylene glycol (EG) organic solvent for the ethanol/water separation. This (IL) was proposed because of its high selectivity compared to conventional (EG). The electrolyte non-random-two-liquid (eNRTL) activity coefficient model was used to calculate the vapor-liquid equilibrium (VLE) of the ethanol-water mixture in the presence of the solvent. Indeed, the VLE behavior of ethanol-water in the presence of [EMPy][ESO4] showed that the (IL) enhances the relative volatility of ethanol and allows to eliminate the azeotrope at smaller solvent concentration, comparing to (EG). The best operating conditions of the extractive distillation process were determined for three cases of ethanol composition in feed mixture to obtain ethanol with higher purity (i.e. 99.9 mol.%). Besides, it has been found that the [EMPy][ESO4] (IL) is more efficient than EG for the separation of ethanol-water azeotropic system even at low concentrations; it is less energy consuming and more economical compared to the conventional solvent.

Thermodynamic and molecular insights into gas drying with ionic liquid − based mixed absorbents

The suitability of mixed solvents of triethylene glycol (TEG) and ionic liquids (ILs) as gas drying agents was first systematically studied from the phase equilibrium to molecular perspectives. The vapor − liquid equilibrium (VLE) for mixed systems of H2O − TEG, H2O − [EMIM][Tf2N], and H2O − TEG − [EMIM][Tf2N] were experimentally measured and predicted using the UNIFAC-Lei model. The results showed that the UNIFAC-Lei model can be successfully extended to predict VLE from binary to ternary systems. In addition, the vapor pressures of H2O − TEG are lower than those of H2O − [EMIM][Tf2N], while the addition of TEG into H2O − [EMIM][Tf2N] can significantly reduce vapor pressure. Molecular dynamic (MD) simulations demonstrate the relationship between the VLE behaviors and microscopic mechanisms of H2O − TEG − [EMIM][Tf2N] and further validate the suitability of TEG − [EMIM][Tf2N] as desiccants due to hydrogen bond (HB) interactions presented in H2O − TEG, H2O − [EMIM][Tf2N] and TEG − [EMIM][Tf2N]. This study provides theoretical guidance for the application of IL-based mixed absorbents in gas drying processes.

Prediction of ternary azeotropic refrigerants containing ammonia

Developing azeotropic refrigerants based on ammonia is a promising way to achieve better refrigeration performance and less refrigerant charge than using ammonia alone. In this paper, ammonia-based, homogenous ternary azeotropic refrigerants were predicted. The Peng-Robinson equation of state was combined with the non-random two-liquids (NRTL) to represent the vapor-liquid equilibrium (VLE) behavior of binary and ternary mixtures. The non-randomness binary interaction parameter α in NRTL model has a significant influence on the VLE description of the ammonia mixtures, while such influence is commonly weak in hydrocarbon or hydrofluorocarbon mixtures at α from 0.2 to 0.47. Empirically, α = 0.2 is more suitable for ammonia mixtures rather than the conventional default value 0.3. The azeotropic loci of the mixtures were determined by the extreme pressure method. Ten ternary systems were predicted, of which three maximum-point azeotropes were found, namely ammonia + n -butane + pentafluoroethane /1,1-difluoroethane /2, 3, 3, 3 - tetrafluoroprop-1-ene. The ternary azeotropes predicted are thought to be promising substitute refrigerants.

Energy and exergy analysis of a Linde-Hampson refrigeration system using R170, R41 and R1132a as low-GWP refrigerant blend components to replace R23

This study presents a comprehensive comparative analysis of the thermodynamic performance of a single-stage Linde-Hampson refrigerator (LHR) for refrigerant couples, namely R1234yf + R170, R1234yf + R23, R1234yf + R41 and R1234yf + R1132a, to seek the most suitable substitute for R23 at the temperatures down to −60 °C. The compressor input power, cooling capacity, coefficient of performance, exergy loss and exergy efficiency are selected as the objective functions. The operating parameters include the evaporation temperature, suction pressure, and condenser outlet temperature. The compositions of each binary mixture were obtained from the vapor-liquid equilibrium behavior according to the suction pressure and target evaporation temperature. Simulation and comparative study show that better energy and exergy performance are obtained with all the replacements under all studied conditions compared to R23. Further results show that the R1234yf + R41 mixture performs better, and hence is suggested as the most promising alternative couple for the single-stage LHR at −60 °C. By properly increasing the suction pressure and decreasing the condensation temperature, the system performance can be enhanced. This indicates that a multi-objective scheme has the potential to significantly improve the performance of low-temperature applications.

Kinetic modeling and experimental investigations of dry reforming of methanol over a Cr-Mo-Mn/SiO2 catalyst

To derive a kinetic model for dry reforming of methanol, the experimental investigations were accomplished at vast working conditions (i.e., temperature: 500 °C–900 °C and CO2/CH3OH ratio (C/M) of 1–2.5) on Cr-Mo-Mn/SiO2 catalyst. The kinetic model developed based on the Langmuir–Hinshelwood (LH) approach and mechanism contained three reversible reactions on three types of active sites. The results of the statistical analysis presented that kinetic model parameters were statistically significant. The error of the suggested kinetic model was 9.87% using equation state (EoS) of Soave–Redlich–Kwong on the basis of modified Huron–Vidal mixing rule (SRK/MHV2) applied to evaluate vapor–liquid equilibrium behavior. The highest precision in predicting the experimental data by the suggested kinetic model was assigned to methanol conversion. The outcomes presented the high temperature is suitable for higher CO yield, methanol and CO2 conversions. An augmentation in carbon dioxide percentage of the inlet feed led to enhance in CO yield, methanol and CO2 conversions, while H2 yield was decreased.

The influence of solvents and impurities on the separation of biobased phenol and 2‐octanone

AbstractBACKGROUNDPhenol is used as a raw material in the polycarbonate industry and as the incentive for bio‐based plastics and products is increasing, so is the interest in and demand for bio‐based phenols. In renewable phenol production processes based on biomass, impurities derived from the biomass, including other oxygenate compounds, are expected in the phenol containing solution. Vapor–liquid equilibrium (VLE) of phenol and 2‐Octanone was studied and impact of impurities thereon to gain insights applicable for similar systems in biorefineries for renewable phenol production.RESULTSFor the binary mixture of phenol ‐ 2‐octanone azeotropic VLE behavior was found. The effects of ternary compounds on the molecular interactions between phenol and 2‐octanone were studied using isothermal calorimetry (ITC) and molecular modelling (MM), and the impact on the VLE behavior was measured using an ebulliometer.CONCLUSIONIt was found that the relative volatility could be improved by adding solvents that are polar and/or contain hydrogen bond accepting groups. Ketones and ethers most strongly improved the relative volatility of the binary mixture 2‐octanone – phenol. Addition of a linear alkane, a repelling component especially for 2‐octanone, strongly improved the relative volatility as well. ITC and MM results, providing heat of mixing and the interaction energy of mixture components, improved fundamental understanding of the molecular interactions between phenol, 2‐octanone and ternary compounds, and supported the VLE findings. © 2021 The Authors. Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).

Can isopiestic method predict the formation of deep eutectic solvents?

In order to evaluation of the capability of different hydrogen bond donor (HBD)‑hydrogen bond acceptor (HBA) systems for the formation of deep eutectic solvents (DESs), systematic studies on the vapor-liquid equilibrium behavior of aqueous solutions of choline chloride (ChCl) as a HBA were carried out in the presence of several HBDs. For this purpose, isopiestic equilibrium molalities were obtained for ternary aqueous solutions of ChCl in the presence of different HBDs including Urea, Potassium acetate, Glucose, Furctose, Sucrose, Mannose, Xylose, Citric acid, Malonic acid, Glycerol, Sorbitol, Alanine and PEG600 at 298.15 K. The constant water activity lines showed the positive deviation from the Zdanovskii-Stokes-Robinson rule (semi ideal behavior) for the HBDs which interact strongly with ChCl and forming DESs. However, the negative deviation from the semi ideal behavior was observed for the HBDs which don't interact with the hydrogen bond acceptor and cannot form DESs. Therefore, the results obtained in this work indicate that the isopiestic method can be used for choosing the proper HBA and HBD for the formation of stable liquid DESs at room temperature.

Precipitation of quercetin and nicotinamide in carbon dioxide + ethanol systems at high pressures: Phase equilibrium data for antisolvent processes

The dataset obtained in this work comprise original new data on the phase equilibrium of ternary systems CO2 + ethanol + quercetin (QCN), CO2 + ethanol + nicotinamide (NIC), and the quaternary system CO2 + ethanol + QCN + NIC with a molar ratio of 1:1 (QCN:NIC), which comprehension of phase behavior can be useful to establish experimental conditions for further co-precipitation, co-crystallization or related particle-obtaining processes with QCN and/or NIC at elevated pressures by antisolvent techniques. The data were obtained with the synthetic-visual method at temperatures of 308.15, 318.15, and 328.15 K and pressures up to 10.17 MPa. The vapor-liquid equilibrium (VLE) with or without the presence of a solid phase (VLSE) was observed for all systems evaluated. For ternary systems, VLSE occurred at all temperatures from CO2 molar fractions between 0.7625 and 0.8499 for QCN, and close to 0.9 for NIC, at solid concentrations ranging from 0.02 to 0.06 %mol of solute in ethanol. Solid presence did not considerably alter the binary VLE behavior of solvent/antisolvent mixtures in terms of transition pressures, and the Peng-Robinson equation of state (PR-EoS) fitted well to the data considering systems as pseudobinaries.

Isobaric Vapor–Liquid Equilibrium Measurements and Modeling of Water + Monoethylene Glycol + NaCl Mixtures

Vapor−liquid equilibrium (VLE) data for aqueous systems in the presence of electrolytes have many industrial applications. VLE data for water + monoethylene glycol (MEG) mixtures in the presence of sodium chloride at low pressures are important to describe the effects of composition, temperature, and pressure on a MEG (gas hydrate inhibitor) regeneration unit. A modified version of the Othmer ebulliometer was applied to measure reliable VLE data for water + MEG + NaCl at 101.325, 65, and 35 kPa. Binary systems (water + MEG and MEG + NaCl) were also experimentally studied. Vapor pressures for water and MEG were determined and compared with the selected literature data via Antoine correlation. The electrolyte nonrandom two-liquid and universal quasi-chemical activity coefficient models were successfully parameterized to describe the VLE behavior for water + MEG + NaCl systems. Thermodynamic consistence of the data sets was also checked. Interaction parameter estimation followed a systematic strategy: (1) water−MEG, (2) water−NaCl, and finally (3) MEG−NaCl with the experimental data of MEG + NaCl and ternary data. MEG + NaCl solutions presented an inverted colligative property, that is, the addition of salt decreases the boiling point. VLE data indicated that water separation is less efficient due to the addition of salt. The parameterized models allow an evaluation of the MEG regeneration process as a function of temperature, pressure, and composition

Efficient selection of conventional and phase-change CO2 capture solvents and mixtures based on process economic and operating criteria

The aim of this work is to exploit shortcut models in order to efficiently assess conventional and phase-change solvents and mixtures based on CO2 capture and upstream plant process and economic performance criteria. This is approached by exploiting a previously available shortcut model which is currently suitable only for solvents exhibiting vapor-liquid equilibrium (VLE) behavior. This model is extended to account for solvents which exhibit vapor-liquid-liquid equilibrium (VLLE), phase-change behavior and is implemented in 10 solvents and mixtures, including 2 phase-change solvents. The VLE behavior of conventional solvents and mixtures is represented using models obtained from literature or regressed from experimental data. The VLLE behavior of the phase-change solvents MAPA/DEEA (3-(methylamino)propylamine/2-(diethylamino)ethanol) and MCA (methyl-cyclohexylamine) is modelled through regression curves from experimental data. The performance criteria for solvent assessment include cyclic capacity, solvent flowrate and purchase cost, regeneration duty, net efficiency penalty and lost revenue of power plant from parasitic electricity due to capture. The performance of the phase-change solvents is validated based on literature data, whereas it is superior to that of conventional CO2 capture solvents. The net efficiency penalties of MCA and MAPA/DEEA are approximately between 2.9 and 3.3% points lower than MEA (monoethanolamine), whereas the lost revenue of the power plant due to the capture unit is 47% and 50% lower than MEA, respectively.