Vapour–liquid equilibria in the carbon dioxide–water system, measurement and modelling from 278.2 to 318.2K

Progress in the Study on the Phase Equilibria of the CO2-H2O and CO2-H2O-NaCl Systems

“…Kiepe et al [33] calculated gas solubilities (isothermal P-x data) for the CO 2 -H 2 O system at the temperature and pressure of 313 393K and 0 10MPa by coupling the predictive Soave-Redlich-Kwong (PSRK) group contribution EOS with the model of LIFAC, and the prediction is in good agreement with the experimental data. Valtz et al [35] calculated vapour-liquid equilibrium (VLE) of the CO 2 -H 2 O system at the temperature and pressure of 278.2 318.2K and 0.464 7.963MPa by using a thermodynamic model. This model was based upon a dissymmetric approach, in which PR EOS with classical mixing rules was used for the vapour phase, and the aqueous phase followed Henry's law.…”

“…The residual molar Helmholtz energy has contributions from the formation of hard spheres and chains, dispersion (attraction), and association [54]. Valtz et al [35] calculated the VLE for the CO 2 -H 2 O system over the temperature and pressure of 278.2 318.2K, 0.464 7.963MPa by using SAFT-VR EOS which is based on a variable range square-well potential. The calculated CO 2 solubility agrees with the experimental data well.…”

The phase equilibrium and density studies of the ternary mixtures of CO 2 + Ar + N 2 and CO 2 + Ar + H 2 , systems relevance to CCS technology

“…Recently, much attention has been given to studies of the thermodynamic properties, such as vapour-liquid equilibrium (VLE) and density of CO2 mixtures with impurities. A number of research groups have studied some of these key binaries, such as CO2/N2 (Fandino et al, 2015;Mantovani et al, 2012;Tenorio et al, 2015;Westman et al, 2016b), CO2/Ar (Coquelet et al, 2008;Köpke and Eggers, 2007;Mantovani et al, 2012;Yang et al, 2015a), CO2/H2 (Cipollina et al, 2007;Fandino et al, 2015;Sanchez-Vicente et al, 2013;Tenorio et al, 2015), CO2/O2 (Mantovani et al, 2012;Westman et al, 2016a), CO2/SO2 (Coquelet et al, 2014;Köpke and Eggers, 2007), CO2/CO (Cipollina et al, 2007), CO2/H2S (Chapoy et al, 2013a) and CO2/H2O (Hou et al, 2013;Valtz et al, 2004), which either focused on the binaries with an insufficient amount of data under the conditions relevant to CCS or aimed at reducing experimental uncertainties. A comprehensive data survey of the available thermodynamic properties of binary systems with CO2 can be found in the monograph by Kunz et al (2007) and in the recent reviews by Munkejord et al (2016) and Li.…”

Experimental and molecular modelling study of the three-phase behaviour of (propane+carbon dioxide+water) at reservoir conditions

“…We compare our experimental findings with the predictions of SAFT-VR [74,75]. We use this method as it has already been shown in a number of studies [4,66,68,69,71,72,[76][77][78] to provide an accurate description of the phase behaviour of mixtures consisting of alkanes, CO 2 and water, for wide ranges of thermodynamic conditions. Finally, where possible, the agreement or deviations from published binary experimental data are further studied to analyse the effect of adding a third component and a third coexisting phase in the phase equilibria of the system.…”

“…Associating theories such as the statistical associating fluid theory (SAFT) [52,53] prove advantageous for modeling these highly non-ideal mixtures. Previous applications of associating theories to model (alkane + water) systems [54][55][56][57][58][59][60][61][62][63][64][65] and (carbon dioxide + water) [66][67][68][69][70][71] were reviewed in detail in our previous manuscript [4], to which the reader is referred for a complete analysis. Certain challenges were highlighted in these systems, such as the difficulty of modelling mutual solubilities of phases of very different nature, as represented by large variations between the dielectric constant of each phase and/or dipole moment of the molecules.…”