Vapour–liquid equilibrium data for the hydrogen sulphide (H2S)+carbon dioxide (CO2) system at temperatures from 258 to 313K

Development of the Transferable Potentials for Phase Equilibria Model for Hydrogen Sulfide

“…This behavior implies that the 4-1 model somewhat overpredicts the strength of the H 2 S/CO 2 interactions. Actually, the data for the 4-1 model closely match the predictions from the Peng− Robinson equation of state 45 with the k ij parameter set to zero, whereas k ij = 0.0960 is required to correlate the experimental The Journal of Physical Chemistry B Article data at T = 293 K. 44 Apparently, the 3-3 and 4-3 models are able to capture this positive deviation from regular mixing that requires a weakening of the unlike interactions. The deviations for the separation factor are significantly smaller with the 4-1 model underpredicting the separation factor at lower CO 2 mole fraction (x CO 2 < 0.5 at T = 293.16 K and x CO 2 < 0.25 at T = 333.16 K) and overpredicting at higher mole fractions, whereas the 3-3 and 4-3 models perform better at low and high CO 2 mole fractions (but of course not at the point where the data for the 4-1 model intersect the experimental data).…”

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.…”

q-Quadratic mixing rule for cubic equations of state

“…The PengRobinson equation of state (Peng and Robinson, 1976) together with vdW-MR and q-MR were used for calculating the vapor-liquid equilibrium for the following binary systems at different temperatures: CO 2 þ2-butanol (Elizalde-Solis and Galicia-Luna, 2010), ethanolþglycerol (Shimoyama et al, 2009), ethaneþdecane (Gardeler et al, 2002), CO 2 þethanol (Galicia-Luna et al, 2000), CO 2 þstyrene (Tenório Neto et al, 2013), CO 2 þacetic acid (Bamberger et al, 2000), CO 2 þH 2 S (Chapoy et al, 2013) and ethyleneþ1-decanol (Gardeler et al, 2002). The fitting parameters of the model are k 12 and q 12 (we remind the reader that the vdW-MR uses fixed q 12 ¼ 1, so it is not a fitting parameter for this case, but only for q-MR).…”