Phase diagram and association constants of a molecular complex in the 1,3,5-trinitrobenzene–benzene binary system

Radomska, M.; Radomski, R.; Kłos, Ryszard

doi:10.1039/p29870001563

Cited by 3 publications

(6 citation statements)

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“…In the present case, the same type of I'valuation is performed on binary and ternary systems havmg potential charge-transfer interactions of sufficient 1,trcngth to form similar complexes. 3 , 4 The binary systems studied here are of the general type nromatic compound + nitro-substituted aromatic compound.…”

Section: Phase Diagrams and Thermodynamic Properties Of Nitroaromaticmentioning

confidence: 99%

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Phase Diagrams and Thermodynamic Properties of Binary and Ternary Systems Based on Nitroaromatic Compounds

Sangster¹

1997

Journal of Physical and Chemical Reference Data

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Articles you may be interested inStructure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical poreThe phase diagram data of 226 binary organic systems based on nitro aromatic compounds were critically evaluated with the aid of a computer-coupled thermodynamic/ phase diagram' analysis. The results of this analysis include the excess Gibbs energies of all solution phases as well as the Gibbs energies of fusion and formation of intermediate compounds. These quantities were used to calculate a best phase diagram for each system. The phase diagrams of seven ternary systems were calculated from the evaluated thermodynamic data of the binary subsystems with the use of the Kohler interpolative model and compared . with the experimental diagrams.

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Section: Phase Diagrams and Thermodynamic Properties Of Nitroaromaticmentioning

confidence: 99%

“…The different estimation methods gave results which agreed within 20%, and a mean value was used in the calculations (Table O. 2. 4…”

Section: Estimation Of Heat Of Fusionmentioning

confidence: 99%

Phase Diagrams and Thermodynamic Properties of Binary and Ternary Systems Based on Nitroaromatic Compounds

Sangster¹

1997

Journal of Physical and Chemical Reference Data

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“…The relationships between x and x e for the three most common association models (1:1, 1:2 and 1:1 + 1:2) are given elsewhere [2]. In this work, we used the 1:1 model for all the considered systems, even those in which the crystalline complexes AD2 were found.…”

Section: Calculation Of Liquidus Linesmentioning

confidence: 99%

“…In this work, we used the 1:1 model for all the considered systems, even those in which the crystalline complexes AD2 were found. This assumption is justified since, as a rule, the dissociation AD2 = AD + D is nearly complete after melting [2]. where AHf and ASf are the enthalpy and entropy of fusion of the pure component, respectively, and a is the component activity.…”

Section: Calculation Of Liquidus Linesmentioning

confidence: 99%

“…The excess free energy of mixing of the liquid phase was estimated by fitting the modified van Laar equation to the measured liquidus lines. The enthalpy and the entropy of complex formation were used as the fitting parameters.The object of this study was to explore the applicability of a previously presented model for calculation of the liquidus lines in binary systems involving a charge-transfer (CT) complex [1,2]. The model is based on the assumption that, in a system involving an addition compound, the excess Gibbs energy for the liquid phase is the sum of two parts, related to complexing and non-complexing interactions.…”

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Phase diagrams in the binary systems of tetracyanoethylene with mesitylene, durene and pentamethylbenzene

Radomska

Radomski

1991

Journal of Thermal Analysis

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The phase diagrams of the binary systems of tetracyanoethylene (TCNE) with some methylbenzenes were determined by differential scanning calorimetry. In the durene-TCNE system a 1:1 complex was observed. The other two pairs of components form both 1:1 and 1:2 complexes. In all the systems, the complexes melted incongruently. Solid -solid phase transitions were found in the complexes in the pentamethylbenzene-TCNE system. The excess free energy of mixing of the liquid phase was estimated by fitting the modified van Laar equation to the measured liquidus lines. The enthalpy and the entropy of complex formation were used as the fitting parameters.The object of this study was to explore the applicability of a previously presented model for calculation of the liquidus lines in binary systems involving a charge-transfer (CT) complex [1,2]. The model is based on the assumption that, in a system involving an addition compound, the excess Gibbs energy for the liquid phase is the sum of two parts, related to complexing and non-complexing interactions.Our earlier investigations concerned systems with 1,3,5-trinitrobenzene (TNB) as an accepter (A) and polycyclic aromatic hydrocarbons as donors (D). The complexes observed in those systems were relatively weak, and the experimental liquidus lines differed from those calculated for the ideal ease only insignificantly. This paper details further refinement of this model, and its application to systems involving strong complexes. Tetracyanoethylene (TCNE) was chosen as an accepter because complexes with TCNE are known to be stronger than those with TNB [3a]. For the sake of comparison of the properties in a homologous series, the methylbenzenes were selected John grtley & Sons, Limite~ Chiche~ter Akad~niai Kiad6, Budapest

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ChemInform Abstract: Phase Diagram and Association Constants of a Molecular Complex in the 1,3,5‐Trinitrobenzene‐Benzene Binary System

1988

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Phase diagram and association constants of a molecular complex in the 1,3,5-trinitrobenzene–benzene binary system

Cited by 3 publications

References 1 publication

Phase Diagrams and Thermodynamic Properties of Binary and Ternary Systems Based on Nitroaromatic Compounds

Phase Diagrams and Thermodynamic Properties of Binary and Ternary Systems Based on Nitroaromatic Compounds

Phase diagrams in the binary systems of tetracyanoethylene with mesitylene, durene and pentamethylbenzene

ChemInform Abstract: Phase Diagram and Association Constants of a Molecular Complex in the 1,3,5‐Trinitrobenzene‐Benzene Binary System

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