Interpretation of heats of mixing of 1-butanol, 2-butanol and 2-methyl-2-propanol with cyclohexane in terms of some models of continuously associated solution

1984 ◽  
Vol 49 (6) ◽  
pp. 1334-1341 ◽  
Author(s):  
František Veselý ◽  
Vladimír Dohnal ◽  
Miriam Valentová ◽  
Jiří Pick
Keyword(s):  
Temperature Dependence ◽  
Interaction Parameters ◽  
Heats Of Mixing ◽  
Linear Association ◽  
Two Systems ◽  
Associated Solution

Three models of continuously associated solution complemented by an assumption of polynomial temperature dependence of corresponding interaction parameters were used for simultaneous description of the concentration and temperature dependence of heats of mixing of 1-butanol, 2-butanol and 2-methyl-2-propanol with cyclohexane. Very good results were reached for the first two systems where the Liebermann and Wilhelm model has proved to be the most suitable. With respect to the probable existence of cyclic associates in solutions of 2-methyl-2-propanol, none of the used models which assume only linear association satisfied to the extent required.

Heats of mixing of the ternary systems 1-propanol-n-alkane-cyclohexane

1982 ◽  
Vol 47 (4) ◽  
pp. 1045-1059 ◽  
Author(s):  
František Veselý ◽  
Vladimír Dohnal ◽  
Miloslav Prchal
Keyword(s):  
Ternary Systems ◽  
Group Contribution ◽  
Polar Component ◽  
Excess Enthalpies ◽  
Group Contribution Method ◽  
Heats Of Mixing ◽  
Scatchard Equation ◽  
System 1 ◽  
Associated Solution ◽  
Good Agreement

Heats of mixing HE were measured at the temperature of 298 15 K in the ternary system 1-propanol-n-hexane-cyclohexane, 1-propanol-n-heptane-cyclohexane and 1-propanol-n-octane cyclohexane along three pseudobinary chorids and in the binary system 1-propanol-n-hexane. The measured values of the ternary excess enthalpies were correlated by the Scatchard equation for one polar component and by the SSF equation in pseudobinary mixtures. A very good agreement with the experiments was attained on computing the enthalpies of mixing by the group-contribution method. Qualitatively the same results were found on applying the modified Renon-Prausnitz model of continuously associated solution. The combination of the Renon-Prausnitz model with the group-contribution method did not yield a more conspicuous improvement.

scholarly journals Statistical Thermodynamics and Ordering Kinetics of D019-Type Phase: Application of the Models for H.C.P.-Ti–Al Alloy

2008 ◽  
Vol 138 ◽  
pp. 283-302 ◽  
Author(s):  
Taras M. Radchenko ◽  
Valentin A. Tatarenko ◽  
Helena Zapolsky
Keyword(s):  
Phase Transformation ◽  
Temperature Dependence ◽  
Interatomic Interaction ◽  
Statistical Thermodynamics ◽  
Interaction Parameters ◽  
Atomic Fraction ◽  
Al Alloy ◽  
Interaction Energies ◽  
Experimental Phase Diagram ◽  
Kinetics Of

Using the self-consistent field approximation, the static concentration waves approach and the Onsager-type kinetics equations, the descriptions of both the statistical thermodynamics and the kinetics of an atomic ordering of D019 phase are developed and applied for h.c.p.-Ti–Al alloy. The model of order–disorder phase transformation describes the phase transformation of h.c.p. solid solution into the D019 phase. Interatomic-interaction parameters are estimated for both approximations: one supposes temperature-independent interatomic-interaction parameters, while the other one includes the temperature dependence of interchange energies for Ti–Al alloy. The partial Ti–Al phase diagrams (equilibrium compositions of the coexistent ordered α2-phase and disordered α-phase) are evaluated for both cases. The equation for the time dependence of D019- type long-range order (LRO) parameter is analyzed. The curves (showing the LRO parameter evolution) are obtained numerically for both temperature-independent interaction energies and temperature-dependent ones. Temperature dependence of the interatomic-interaction energies accelerates the LRO relaxation and diminishes a spread of the values of instantaneous and equilibrium LRO parameters versus the temperature. Both statistical-thermodynamics and kinetics results show that equilibrium LRO parameter for a non-stoichiometry (where an atomic fraction of alloying component is more than 0.25) can be higher than for a stoichiometry at high temperatures. The experimental phase diagram confirms the predicted (ordered or disordered) states for h.c.p.-Ti– Al.

Miscibility Gaps in Fused Salts. Note X. The Reciprocal Ternary System K, Li/Br, F

1979 ◽  
Vol 34 (7) ◽  
pp. 836-839 ◽  
Author(s):  
Chiara Margheritis ◽  
Giorgio Flor ◽  
Cesare Sinistri
Keyword(s):  
Ternary System ◽  
Temperature Dependence ◽  
Interaction Parameters ◽  
Miscibility Gap ◽  
Solution Theory ◽  
Ionic Solution ◽  
Fused Salts ◽  
Miscibility Gaps ◽  
Solid Liquid ◽  
Stable Diagonal

Solid-liquid and liquid-liquid equilibria in the reciprocal ternary system K, Li/Br, F were fully measured.The projection of the miscibility gap occupies 20.8% of the composition square; the upper critical point of the gap is along the stable diagonal at 953°C and xLIF = 0.70.Attempts to predict the liquid-liquid equilibria by means of the conformal ionic solution theory using temperature independent interaction parameters lead to an incorrect symmetry of the gap. The symmetry can be improved if the temperature dependence of the interaction parameters of the binary mixtures is taken into account.

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