Excess enthalpies of binary mixtures of 2-ethyl-1-butanol with hexane isomers

Molar excess enthalpies, measured at 298.15 K in a flow microcalorimeter, are reported for binary mixtures of 2-ethyl-1-butanol with the five isomeric hexanes. The results are compared with previously published excess enthalpies for mixtures of 1-hexanol and 2-methyl-1-pentanol with the same hexane isomers.     

Excess enthalpies of binary mixtures of 2-methyl-1-pentanol with hexane isomers

Kimura, F. and Benson, G.C., 1982. Excess enthalpies of binary mixtures of 2-methyl-1-pentanol with hexane isomers. Fluid Phase Equilibria, 8:107-112.Molar excess enthalpies, measured in a flow microcalorimeter, are reported for binary mixtures of 2-methyl-1-pentanol with n-hexane and its four isomers. There is a roughly linear correlation between the results for equimolar mixtures and the mean number of gauche conformations of the isomer.     

Excess enthalpies and excess volumes of binary mixtures containing tetrahydrofuran

Heat of mixing data at 318.15 K are reported for the binary systems made up of tetrahydrofuran (THF) with pyridine and with thiazole.The volumes of mixing at 298.15 K and atmospheric pressure have also been measured for the following binary mixtures: THF+pyridine, THF+thiazole THF + benzene, THF + cyclohexane, THF + hexafluorobenzene.     

Equation of state for hard-spheres and excess function calculations of binary liquid mixtures

Using our previously proposed matrix method, an equation of state for hard spheres is presented, which can reproduce the exact values of the first-eight virial coefficients. This equation meets both the low density and the close-packed limits and can predicts the first order fluid–solid phase transition of hard spheres. The results obtained show that the new equation of state can correlate the simulation data of compressibility factor up to high densities better than other equations of state.The new equation of state is extended to mixtures of hard spheres and excess functions of various binary liquid mixtures are calculated using the perturbation theory of Leonard–Henderson–Barker. The results are compared with existing theoretical and experimental data and with those calculated by other hard-sphere equations of state.It is seen that the results obtained by the new equation of state is quite satisfactory compared to other equations of state for the hard spheres and mixture of hard spheres.     

Prediction of vapor-liquid equilibrium from excess enthalpy data for binary ether +n-alkane or cyclohexane mixtures

Vapor liquid equilibrium (VLE) is successfully predicted from excess enthalpy H^E data for binary ether + n-alkane or cyclohexane mixtures. Parameters for the continuous linear association model (CLAM) and for the UNIQUAC Model for the excess Gibbs energy G^E were determined from H^E data measured at a low temperature (ambient temperature). These parameters are used to predict VLE data at low and high temperatures. The dependence of the accuracy of predictions on the set of H^E data chosen to evaluate the parameters and on the model for G^E are discussed.     

Molecular interactions in binary mixtures of non-electrolytes: Molar excess enthalpies

Molar excess enthalpies, H^E, for pyridine (i) + α-picoline (j), + β-picoline (j), + γ-picoline (j); pyridine (i) + cyclohexane (j); β-picoline (i) + cyclohexane (j); methylenebromide (i) + pyridine (j), + β-picoline (j) mixtures have been measured calorimetrically as a function of temperature and composition. The H^E data at 298.15 and 308.15 K have been analysed in terms of the Sanchez and Lacombe theory and the “graph theoretical approach”. The graph theoretical approach describes the H^E data well for all these mixtures. This approach has been critically examined and it is found to provide an insight into the nature of molecular interactions between the components of these mixtures. NMR studies on methylene bromide (i) + β-picoline (j) andβ-picoline (i) + pyridine (j) further support these conclusions.     

Excess molar enthalpies for binary liquid mixtures of furfural with some aromatic hydrocarbons

The excess molar enthalpies H _m ^E for the binary mixtures of furfural with the aromatic hydrocarbons namely benzene, toluene, ethylbenzene and o-, m-, and p-xylenes were determined at 35°C. The values for all the mixtures studied are positive over the entire range of composition and follow the order: o-xylene>m-xylene>ethylbenzene>p-xylene>benzene>toluene. The results are discussed in terms of the unlike specific interactions present in the binary mixtures.     

Excess enthalpies of binary mixtures of n-octane with each of the hexane isomers at 298.15 K

Excess molar enthalpies, measured at 298.15 K in a flow microcalorimeter, are reported for the five binary systems formed by mixing n-octane with n-hexane, 2-methylpentane, 3-methylpentane, 2,2-dimethylbutane and 2,3-dimethylbutane. The results for equimolar mixtures, together with similar data for other n-alkane + hexane isomer mixtures, are correlated in terms of the acentric factors of the n-alkanes.     

Investigation of excess enthalpies of selected binary and ternary solutions and mixtures

The excess enthalpies were investigated for 12 binary and 4 ternary systems, including mixtures and solutions of electrolytes and non-electrolytes. The excess enthalpies of mixtures and integral heats of solutions were measured with an isoperibol calorimeter at 35 °C. Heats of fusion and heat capacities as functions of temperature were measured with a Perkin Elmer Corp., DSC-2. Integral heats, heats of fusion and heat capacities allow investigations of excess enthalpies of solutions. For modelling of the experimental results, the modified Redlich-Kister equation was used with good success.

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Zusammenfassung Für 12 binäre und temäre Systeme, darunter Mischungen und Lösungen von Elektrolyten und Nichtelektrolyten, wurden die Exzessenthalpien untersucht. Die Exzessenthalpien der Mischungen und die integralen Lösungsenthalpien wurden mit einem isoperibolen Kalorimeter bei 35 °C gemessen. Die Schmelzwärmen und spezifischen Wärmekapazitäten in Abhängigkeit von der Temperatur wurden mit einem DSC 2 der Fa. Perkin-Elmer bestimmt. Die integralen Wärmen, Schmelzwärmen und Wärmekapazitäten erlauben, die Exzessenthalpien der Lösungen zu untersuchen. Die Versuchsergebnisse lassen sich erfolgreich mit modifizierten Redlich-Kister-Gleichungen modellieren.

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The author expresses his gratitude to the leader of the Teaching and Research TEAM, Prof. Dr. H. Schuberth, and to Dr. G. Figurski, for help and discussions.     

Simultaneous description of vapor-liquid equilibrium and excess enthalpies for methanol and ethanol binary mixtures with propanal

Four different formulations of the thermodynamic properties of alcohol + unassociated active component mixtures have been used to describe simultaneously the vapor-liquid equilibrium and excess enthalpies of the methanol + propanal and ethanol + propanal mixtures. The equations used are based on a continuous linear association model proposed by Kretschmer and Wiebe and extended by Nagata and coworkers to include alcohol + unassociated active component mixtures. The equations are severely tested in this attempt to describe the highly non-ideal mixtures formed by an alcohol and propanal. Results obtained are more accurate than those previously reported for the Lattice-Fluid and the Lattice-Fluid Associated Solution models.     

Effect of NaCl on the excess enthalpies of binary liquid systems

The excess molar enthalpies h^E₁₊₂₃ of ethanol+(water+NaCl), benzylalcohol+(water+NaCl), and cyclohexane+(methanol+NaCl) were measured at 298.15 K, those of methanol+(water+NaCl) at 298.15 and 323.15 K. An LKB flow microcalorimeter was used and a special flow-mix cell was developed with regard to the corrosive electrolyte solutions. Knowing the integral enthalpy of solution and the solution enthalpy at infinite dilution for a salt (3) in a solvent (2), the molar excess enthalpy h^E₁₂₃ can be calculated.     

Application of a flow microcalorimeter to determine the excess enthalpies of binary mixtures of non-electrolytes

The performance of an LKB flow microcalorimeter has been improved through changes in the auxiliary equipment and operating technique. Measurements of excess enthalpies, precise to 0.5% or better, are reported for several test systems.     

Molar excess enthalpies of binary mixtures of pyridine bases+hexan-1-OL

The excess enthalpies at 303.15 K of binary mixtures of hexan-1-ol+pyridine,-, - and-picolines, 2,4- and 2,6-lutidines and 2,4,6-collidine have been measured as a function of composition.     

Association model of fluids. Simultaneous representation of excess Gibbs energies and excess enthalpies for liquid mixtures with alkanols

The binary excess Gibbs energies and excess enthalpies of liquid mixtures of alkanols and hydrocarbons, acetone, methyl acetate, acetonitrile, organic acid, etc., are simultaneously correlated with a new association model whose equilibrium constants are defined in terms of the modified segment fractions of chemical species. The model predicts ternary vapor-liquid, liquid-liquid equilibria and excess molar enthalpies of those mixtures well using only binary parameters.     

An analytic model for the excess properties of binary liquid mixtures

A model has been devised to analyse excess property data for binary liquid mixtures. The model embodies the concept of the segmentation of the total composition range into three distinct regions. Results are given for the analyses of Δ$\text{V}$, Δ$\text{H}$ and Δν for the acetonitrile-water and dimethylsulfoxide-water systems.     

Prediction of excess volumes and enthalpies of liquid mixtures of two n-alkanes from data for the pure components

Excess molar volumes V^E and enthalpies H^E of liquid mixtures of two n-alkanes are predicted from the respective densities, isobaric expansivities and isothermal compressibilities of the pure components, essentially on the basis of the van der Waals model. Combining rules, empirically adjusted parameters, and fitting to solution properties are not required. The calculated results are of about the same quality as those obtained from the Flory theory.     

Topological and thermodynamic investigations of molecular interactions in binary mixtures: Molar excess volumes and molar excess enthalpies

Molar excess volumes and molar excess enthalpies of butyl acetate (i) with cyclohexane or benzene or toluene or o-, m- or p-xylene (j) binary mixtures have been measured dilatometrically and calorimetrically over the entire composition range at 308.15 K. The observed data have also been analyzed in terms of graph theoretical approach. The analysis of V^E data by graph theoretical approach suggests that butyl acetate in pure state exists as associated entity and (i + j) mixtures are characterized by the presence of (i–j) molecular entity. It has further been observed that V^E and H^E values calculated by this approach agree well with the corresponding experimental values. The presence of molecular entity is further confirmed by IR study of (i + j) mixture.     

Excess molar enthalpies for binary mixtures of different amines with water

The isothermal excess molar enthalpies for binary mixtures of different amines with water were measured with a C-80 Setaram calorimeter. The experimental results indicate that the excess molar enthalpy is related to the molecular structure. The experimental excess molar enthalpies were satisfactorily fitted with the Redlich–Kister equation. They were also used to test the suitability of the NRTL model, and the deviations are a little larger than the R–K equation.