Excess molar enthalpies of (a cycloalkane + an alk-1-yne) at 298.15 K

Prediction of Thermodynamic Properties of Alkyne-Containing Mixtures with the E-PPR78 Model

“…For binary systems containing an alkyne and a naphthenic compound, we did not find any experimental phase-equilibrium data in the literature; nevertheless, Letcher et al. , reported experimental h M data for many such systems at room temperature (298.15 K). By default, these data were therefore considered for determining the E -PPR78 model group-interaction parameters A 10–39 (between groups HCC and CH 2,cycl ), and A 11–39 (between groups HCC and CH cycl /C cycl ), while setting the group interaction parameters B 10–39 = A 10–39 and B 11–39 = A 11–39 (it is recalled that the general expression of k ij ( T ) involving the A and B group-interaction parameters can be found in any of our previous studies − ).…”

“…In particular, while the h M values of alkyne + aromatic compound systems can be either positive or negative, the E-PPR78 model is able to capture the signs of h M for these systems, as highlighted in Figure 4d. For binary systems containing an alkyne and a naphthenic compound, we did not find any experimental phase-equilibrium data in the literature; nevertheless, Letcher et al 59,61 reported experimental h M data for many such systems at room temperature (298.15 K). By default, these data were therefore considered for determining the E-PPR78 model group-interaction involving the A and B group-interaction parameters can be found in any of our previous studies 1−23 ).…”

“…Table lists the 53 pure components involved in this study. The pure fluid physical properties ( T c , p c , ω, and c p id ) that were used in this study, originate from DIPPR database or NIST TDE database. , Table details the sources of the binary experimental data − used in our evaluations, along with the temperature, pressure and composition ranges for each binary system. Most of data available in the open literature were collected.…”