Group-contribution estimation of the enthalpy of vaporization of organic compounds

Predicting vapor–liquid equilibria of fatty systems

“…As can be seen, a good representation of the vapor pressure of fatty compounds was achieved. In comparison with some models from the literature [11,37], the proposed equation guarantees lower deviations as well as allows the vapor pressure prediction of an extended range of compounds. Fig.…”

“…Most of them are based on the Clausius-Clapeyron equation as those proposed by Bokis et al [11] and Tu [37]. Bokis et al [11] have shown that the best exponent to correlate the logarithm of the vapor pressure as a function of the inverse temperature is 1.5 instead of 1, as traditionally used.…”

“…Tu [37] has proposed that some molecular structures (double bounds, side chain) and functional groups (-OH, -COOH) may have a significant effect on the vapor pressure and has grouped then in a correction term.…”

Prediction of heat capacities and heats of vaporization of organic liquids by group contribution methods

“…The predictive capability of one group contribution method proposed by Tu and Liu [35] and of three expressions based on the corresponding-states method, i.e., Carruth and Kobayashi [32], Sivaraman et al [33], and Morgan and Kobayashi [34] has been tested against the collection of experimental values shown in Table 3. Tu and Liu method [35] requires only T c as input, while the other three methods need also the acentric factor.…”

“…Following the work of Cachadiña and Mulero [31], the predictive capabilities of three empirical correlations based on the corresponding-states method, i.e., the expressions of Carruth and chain length 5-26 18 8-21 5-22 21-57 47-57 6-50 6-57 Temperature range ( • C) 25-250 25-150 25-93 25-126 40-180 35-180 25-200 25-250 FA = fatty acids and TAG = triacylglycerols. Kobayashi [32], Sivaraman et al [33] and Morgan and Kobayashi [34], and a group contribution method [35], have been compared through a collection of experimental data from the literature [3,[25][26][27][36][37][38][39][40][41][42]. Also, an extension of the vapor pressure model of Ceriani and Meirelles [2] was established for fatty compounds by using the Clausius-Clapeyron equation [30], which gives a relation between these two properties.…”