Evaluation of Thermodynamic Models for Predicting Phase Equilibria of $$\hbox {CO}_{2}$$ CO 2 + Impurity Binary Mixture

Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations

“…REFPROP fails to converge for pressures larger than 170 bar when using the GERG-2008 EoS. This discrepancy seen in the GERG-2008 EoS was also reported in the work of Shin et al The bubble points obtained from the GERG-2008 EoS using REFPROP provide poor estimates when compared to the experimental data of Tsang and Street . Mole fractions computed from simulations agree fairly with experimental data of Tsang and Street, and less than 5% relative deviation was noticed at high pressures.…”

“…The thermodynamic and transport properties of impure CO 2 can be computed from thermodynamic models such as Equations of State (EoS) or other empirical correlations available in the literature. − The validity of EoS predictions majorly depends on the interaction parameters that are obtained by fitting Vapor–Liquid Equilibrium (VLE) data obtained from experiments and assumptions used to develop EoS. , Most EoS models accurately predict the thermodynamic properties related to first-order derivatives of the thermodynamic potentials (Gibbs energy, Helmholtz energy, enthalpy, and internal energy), i.e., the phase equilibria. , The second-order derivative properties, such as isothermal compressibility, thermal expansion coefficient, Joule–Thomson coefficient, heat capacity, and speed of sound, are not predicted accurately by the majority of EoS models. , These properties serve as a basis for the design and modeling of pipeline transportation systems. Especially, knowledge on speed of sound is crucial in characterizing the state and structure of the fluid in pipeline transportation systems. , Many literature studies predict the thermodynamic and transport properties of impure CO 2 using either a simple or advanced EoS, , but no general agreement has been made to use a particular EoS with specific interaction parameters for CO 2 mixtures with small amount of impurities. , …”

“…30,31 Many literature studies predict the thermodynamic and transport properties of impure CO 2 using either a simple or advanced EoS, 32,33 but no general agreement has been made to use a particular EoS with specific interaction parameters for CO 2 mixtures with small amount of impurities. 21,34 Determination of the thermodynamic and transport properties from experiments is difficult due to low concentration limits of impurities in CO 2 transportation systems (Table 2). Performing experiments for a wide range of compositions and conditions of multicomponent CO 2 mixtures is costly and time-consuming.…”

Predicting the solubilities of metal acetylacetonates in supercritical CO2: Thermodynamic approach using PC-SAFT

“…because these PC-SAFT parameters, which were determined by fitting to the saturated vapor pressure and liquid density data of the pure component with higher accuracy, have been widely used for modeling high-pressure phase equilibria including CO2 [60][61][62][63]. As mentioned in the introduction, the PC-SAFT pure-component parameters for the metal acac precursors were determined by fitting the parameters to the solubilities of the metal precursors in various organic solvents.…”

Air Purification System on Reduction of CO2 Concentration Using Low Temperature Liquefaction

“…Current international studies are mainly focused on the air pre-purification unit for cryogenic separation: low-pressure supersonic separator coupled to finishing adsorption [1], photocatalytic materials and technologies for air purification [2], adsorption artificial tree for atmospheric carbon dioxide capture, purification and compression [3], DFT study of physisorption effect of CO and CO2 on furanocoumarins for air purification [4], heat and mass transport characteristics of pressure swing adsorption for the removal of high-level moisture along with CO2 from Air [5], evaluation of thermodynamic models for predicting phase equilibria of CO2+ impurity binary mixture [6], poly (vinylimidazole-co-butyl acrylate) membranes for CO2 separation [7], cryogenic process for CO2 capture on plate-fin multi-stream heat exchanger [8], progress in application of aerogels as adsorbents for gas purification [9], ultra-thin skin carbon hollow fiber membranes for sustainable molecular separations [10] and CFD-modelling of activated carbon fibers for indoor air purification [11]. However, the above literatures do not involve the reduction of CO2 concentration using low temperature liquefaction.…”