Estimation of isobaric vapor–liquid–liquid equilibria for partially miscible mixture of ternary system

Prediction of miscible mixtures flash-point from UNIFAC group contribution methods

“…Finally ideal assumption simulation was done for comparison and some non-ideal simulations using NRTL or Wilson equation were used as references to elucidate the predictive capability of the model based on different UNIFAC-type equation, with the binary interaction parameters of NRTL or Wilson equation being adopted from literature [41,43,[51][52][53][54][55][56][57][58][59][60] and listed in Tables 4 and 5.…”

Analysis of intensified sustainable schemes for biobutanol purification

“…Note Figure 1 shows experimental composition of the binary system n-butanol / water obtained in the temperature range 323-393 K and pressures between 13.4 and 267 kPa [30], and the data predicted by the NRTL model with default Aspen Plus binary interaction parameters. Additionally, previous works have reported a relatively good accuracy for predicting the interactions between the components [31][32][33][34]. The feedstream considered by Errico et al [18] is presented in Table 1, and all schemes were modeled using Aspen Plus V 8.8.…”

Effect of stirring on the safety of flammable liquid mixtures

“…The average values of standard deviation of the measurements for unstirred aqueous-organic solutions and unstirred mixtures of flammable solvents is around 1.4 and 2.5 • C, respectively, both of which are greater than those of the complete stirring analogues, around 0.7 • C. Liquid-phase activity coefficients were estimated using the NRTL [26] and/or UNIQUAC equations [27]. Binary interaction parameters obtained either from the LLE or VLE data were used in this study, with parameters adopted from the literature [8,10,[28][29][30][31][32][33][34][35][36] (Tables 3 and 4). The parameters for relative van der Waals volume (r) and the surface area (q) for the pure components needed in the UNIQUAC equation were obtained from the literature [33,37] and are listed in Table 5 along with the Antoine coefficients sourced from the literature [34][35][36].…”

“…Thus, the EU (European Union) declared that the classification of mixtures would be delayed until 2015 [7]. The flash points of partially miscible mixtures are the least studied despite their use in the liquid-liquid extraction processes [8,9] and heterogeneous distillation processes [10] encountered in many chemical plants. Flash-point data for partially miscible mixtures are urgently needed to facilitate evaluation of fire and explosion hazards.…”