Prediction of gas solubilities by a modified UNIFAC equation

Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester

“…Therefore, a thermodynamic model was applied in this work to reduce the experimental effort. As g E -models can describe gas solubilities only at rather low pressures, − their application to the HE of oleo-compounds, which is performed at pressures above 2 MPa, ,, is unsuitable. In contrast to this, equations of state allow the description of gas solubilities up to high pressures. , …”

Solubilities of gases in cycloethers. The solubility of 13 nonpolar gases in 2,5-dimethyltetrahydrofuran at 273.15 to 303.15 K and 101.32 kPa

“…In a previous paper [50] we described the details of the application of the UNIFAC method to gas solubilities according to Nocon et al [16,51], and reported the interaction Another key aspect in the calculation process is the estimation of the standard fugacities for the gases as hypothetical liquids. They were estimated by using the extrapolation proposed by Nocon et al [16,51]. In this way, the coefficients of Antoine's equation were obtained from the TRC Tables [52] and the critical constants were taken from Reid et al [53].…”

“…In the so called UNIFAC-free volume (UNIFAC-FV) [51] (also considered in references [16] and [50]), a third term, , introduced by Oishi and Prausnitz [56], is In order to calculate the combinatorial term, the required structural parameters R k and Q k (relative van der Waals, volumes and areas, respectively) for liquid (main groups 1 and 13, subgroups, 1, 2 and 26), and gases (main groups 57, 59, 60 68, 70, 71 72, 78, 80), were obtained from the data of Bondi [57] and are gathered in Table5.…”

“…In the calculation of the contributions of terms C, R and FV to , some secondary 2 parameters appear whose values are chosen according Nocon et al [16,51].…”

Solubility of gases in liquids: a critical review

“…The resulting pure-component fugacity f may then be adopted as an arbitrary standard-state fugacity for the solute and the symmetric convention may be applied. We note that for each extrapolation recipe a corresponding dL,'.ent set of liquid-phase activity coefficients ensues (56), each satisfying f*L = 4/x9.…”