•FST has been successfully applied to six binary ionic liquid mixtures.•Only ρ and u have been used to compute a number of useful and important thermodynamic and thermoacoustical properties.•The ...validity of FST for pure ionic liquids and their binary mixtures has been tested from the theoretical values of σ and u.•The magnitudes of u, Pint, E and ΔHv, ced, δ and n obtained from FST demonstrate the excellent agreements.
For the first time, widely employed Flory’s statistical theory of binary liquid mixtures has been successfully applied to six binary ionic liquid mixtures. Only density and sound speed data have been used to compute a number of useful and important thermodynamic and thermoacoustical properties of DEAA + H2O, DEAS + H2O, TEAA + H2O, TEAS + H2O, TMAA + H2O and TMAS + H2O at 298.15 K. Experimental values of density and sound speed were taken from the recent work of Venkatesu et al J P C 118B (2014) 5971.
Their data are rare, very precise and accurate. The validity of FST for pure ionic liquids (RTIL’s) and their binary mixtures has been tested from the theoretical values of surface tension and sound speed. The magnitudes of sound speed, internal pressure, energy and heat of vaporization, cohesive energy density, solubility parameter and polarity factor obtained from FST demonstrate the excellent agreement with the available values of the experimental properties.
Prediction of accurate values of residual entropy (SR) is necessary step for the calculation of the entropy. In this paper, different equations of state were tested for the available 2791 ...experimental data points of 20 pure superheated vapor compounds (14 pure nonpolar compounds + 6 pure polar compounds). The Average Absolute Deviation (AAD) for SR of 2791 experimental data points of the all 20 pure compounds (nonpolar and polar) when using equations of Lee-Kesler, Peng- Robinson, Virial truncated to second and to third terms, and Soave-Redlich-Kwong were 4.0591, 4.5849, 4.9686, 5.0350, and 4.3084 J/mol.K respectively. It was found from these results that the Lee-Kesler equation was the best (more accurate) one compared with the others, but this equation is sometimes not very preferable. It was noted that SRK equation was the closest one in its accuracy to that of the Lee-Kesler equation in calculating the residual entropy SR of superheated vapor, but it was developed primarily for calculating vapor-liquid equilibrium and to overcome this problem, efforts were directed toward the possibility of modifying SRK equation to increase its accuracy in predicting the residual entropy as much as possible. The modification was made by redefining the parameter α in SRK equation to be a function of reduced pressure, acentric factor, and polarity factor for polar compounds in addition to be originally function of reduced temperature and n parameter –which is also function of acentric factor– by using statistical methods. This correlation is as follows: α =1+n(γ)2 , γ=-0.920338Pr-0.34091 +0.064049Tr4 ω +0.370002ω-Pr0.996932 Tr-4x This new modified correlation decreases the deviations in the results obtained by using SRK equation in calculating SR when comparing with the experimental data. The AAD for 2791 experimental data points of 20 pure compounds is 4.3084 J/mol.K while it becomes 2.4621 J/mol.K after modification. Thus SRK equation after this modification gives more accurate results for residual entropy of superheated vapor of pure 20 compounds than the rest of the equations mentioned above.
New values of the polarity factor Kukoljac Miloš D.; Grozdanić Dušan K.
Journal of the Serbian Chemical Society,
01/2000, Letnik:
65, Številka:
12
Journal Article
Recenzirano
Odprti dostop
New values of the polarity factor χ for 96 substances are proposed. Estimation procedure is tested on the values of this factor from the original work of Halm and Stiel.44
New values of the polarity factor Kukoljac, Milos; Grozdanic, Dusan
Journal of the Serbian Chemical Society,
01/2000, Letnik:
65, Številka:
12
Journal Article
Recenzirano
Odprti dostop
New values of the polarity factor ? for 96 substances are proposed.
Estimation procedure is tested on the values of this factor from the
original work of Halm and Stiel.44
nema
Методом газо-жидкостной хроматографии изучили характер межмолекулярного взаимодействия трифенильных производных элементов пятой группы Периодической системы с органическими веществами различной ...физико-химической природы. Определены хроматографические факторы полярности Роршнайдера изученных рядов соединений, проведена оценка вклада в межмолекулярное взаимодействие полярных сорбатов на основе трехмерной модели и определены термодинамические функции сорбента. Показано влияние центрального атома молекулы трифенильных производных на их сорбционные свойства.
The relationship between topological indices and sorption coefficients (
Koc) based on 543 chemicals was investigated. The range of the experimental
Koc values covered 6.4 log-units. Polarity ...correction factors were introduced. The molecular connectivity indices and polarity correction factors were analyzed by stepwise regression for their contribution to a linear regression model. A model was developed based on data for 400 chemicals and was verified using a testing set including another 143 chemicals. The mean residual was 0.346 log-units for the model and 0.253 log-units for overlapping experimental
Koc. The robustness of the model was validated by a modified jackknife test.
PDF
