Thermodynamics of organic mixtures containing amines. IV. Systems with aniline

Binary mixtures of aniline with benzene, toluene, alkane, alkanol, or N,N-dialkylamide have been investigated in the framework of the DISQUAC model. The reported interaction parameters change regularly with the molecular structure of the mixture components. The model consistently describes a set of thermodynamic properties including liquidliquid equilibria, vaporliquid equilibria, and molar excess enthalpies. The two latter properties for ternary systems are well-represented by DISQUAC using binary parameters only (i.e., neglecting ternary interactions). A comparison of DISQUAC results and those obtained from the UNIFAC (Dortmund version) and ERAS models is also shown. The experimental molar excess enthalpies for binary and ternary mixtures are better described by DISQUAC than by UNIFAC. ERAS fails when representing molar excess enthalpies of those binary systems including methanol or ethanol. This may be due to the existence of strong dipolar interactions among aniline molecules as well as to effects related to the equation of state term, evaluated comparing molar excess enthalpies, and molar excess internal energies at constant volume. The study of the aniline systems in terms of the concentrationconcentration structure factor also underlines the importance of dipolar interactions in solutions with alkanes or alcohols, which may be due to the high polarizability of the aniline molecule.Key words: thermodynamics, mixtures, aniline, dipolar interactions, structural effects.

Download Full-text

DISQUAC predictions on thermodynamic properties of ternary and higher multicomponent mixtures. II. Results for HE of ternary mixtures containing nonpolar components, or one polar compound, two polar compounds, or one alcohol and hydrocarbons, or CCl4

Canadian Journal of Chemistry ◽

10.1139/v01-159 ◽

2001 ◽

Vol 79 (10) ◽

pp. 1447-1459 ◽

Cited By ~ 7

Author(s):

Juan Antonio Gonzalez ◽

Javier Carmona ◽

Nicolas Riesco ◽

Isaias Garcia de la Fuente ◽

Jose Carlos Cobos

Keyword(s):

Thermodynamic Properties ◽

Binary Systems ◽

Ternary Systems ◽

Polar Compounds ◽

Ternary Mixtures ◽

Mean Deviation ◽

Group Contributions ◽

Polar Compound ◽

The Mean ◽

Vapor Liquid Equilibria

The ability of the DISQUAC model for predicting excess enthalpies (HE) of ternary systems on the basis of binary parameters only, i.e., neglecting ternary interactions is analyzed. At this end, DISQUAC results for a set of 95 ternary systems are examined. The solutions studied are formed by only hydrocarbons (or CCl4); or by one polar compound (not alcohols) and two hydrocarbons (or CCl4); or by two polar compounds (not alcohols) and one hydrocarbon (or CCl4); or by one alcohol and two hydrocarbons (or CCl4). Most of the HEs analyzed are endothermic, and valid at 298.15 K and atmospheric pressure. The mean deviation between experimental values and DISQUAC results is 5.5% for the ternary systems and 6.5% for the constituent binaries (181 mixtures). The interaction parameters used are valid for the description of thermodynamic properties of binary systems: vaporliquid equilibria (VLE), liquidliquid (LLE), and solidliquid equilibria (SLE), HE and excess heat capacities at constant pressure (CEP), as well as HE and VLE of ternary solutions. Predictions are, in most of the cases, independent of the mixture compounds, or the number of groups present in the system. Larger deviations underline typical shortcomings of the group contributions methods (e.g., Patterson's effect; branching). Note that results for the ternaries and for the constituent binaries are of the same order. This is not the case for the Dortmund version of UNIFAC. The mean deviations obtained using this model are 10.5% and 14% for the ternary and binary mixtures, respectively. Results from other models (original UNIFAC, Flory's theory, NittaChao, UNIQUAC association model) for a number of systems are also compared to those obtained using DISQUAC.Key words: predictions, HE, ternary systems, binary parameters, geometrical methods, Flory, group contributions.

Download Full-text

Vapor-Liquid Equilibria for Binary and Ternary Mixtures of Benzene, Toluene and n-Butyraldehyde

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19860900514 ◽

1986 ◽

Vol 90 (5) ◽

pp. 452-458 ◽

Cited By ~ 15

Author(s):

K.-D. Kassmann ◽

H. Knapp

Keyword(s):

Ternary Mixtures ◽

Binary And Ternary Mixtures ◽

Benzene Toluene ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Molar excess enthalpies, volumes, and Gibbs free energies of methanol – isomeric butanol systems at 25 °C

Canadian Journal of Chemistry ◽

10.1139/v70-417 ◽

1970 ◽

Vol 48 (16) ◽

pp. 2457-2465 ◽

Cited By ~ 54

Author(s):

Jiří Polák ◽

Sachio Murakami ◽

V. T. Lam ◽

H. D. Pflug ◽

G. C. Benson

Keyword(s):

Hydrogen Bonding ◽

Binary Systems ◽

Excess Properties ◽

Excess Enthalpies ◽

Free Energies ◽

Molar Excess ◽

Tert Butanol ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

The vapor–liquid equilibria of the 4 binary systems formed by mixing methanol with n-butanol, isobutanol, sec-butanol, and tert-butanol were investigated at 25 °C in a dynamic still with circulation. The results were used to calculate the molar excess Gibbs free energies. For the three systems containing isobutanol, sec-butanol, or tert-butanol, molar excess enthalpies and volumes were also determined (mainly at 25 °C) by direct calorimetric and dilatometric techniques. The behavior of the excess properties is discussed with reference to differences in the hydrogen bonding and in the shapes of the component molecules.

Download Full-text

The Feasibility of Binary and Ternary Hydrate Mixtures of CH4, CO2 and C3H8 for Metals Removal

10.21203/rs.3.rs-962392/v1 ◽

2021 ◽

Author(s):

Hani Abulkhair ◽

Abdulmohsen Alsaiari ◽

Iqbal Ahmad ◽

Sirisha Nallakukkala ◽

Bhajan Lal ◽

...

Keyword(s):

Driving Force ◽

Binary Systems ◽

Hydrate Formation ◽

Ternary Systems ◽

High Water ◽

Ternary Mixtures ◽

Water Recovery ◽

Gas Composition ◽

Metals Removal ◽

Binary And Ternary Mixtures

Abstract The selection of suitable hydrate formers and their respective gas composition for high hydrate formation driving force is critical to achieve high water recovery and metals removal efficiency in the hydrate-based desalination process. This study presents a feasibility analysis on the possible driving force and subcooling temperatures for the binary and ternary mixtures of methane, carbon dioxide, and propane for hydrates-based desalination process. The driving force and subcooling of the gas systems was evaluated by predicting their hydrate formation phase boundary conditions in 2 wt.% NaCl systems at pressures ranges from 2.0 - 4.0 MPa and temperatures of 1 – 4°C using Modified Peng-Robinson Equation of State in the PVTSim software package. The results suggested that the driving force of CH4-C3H8 and CO2+C3H8 binary systems are similar to their ternary. Thus, the use of binary systems is preferable and simpler than the ternary systems. For binary gas composition CO2+C3H8 (70:30) exhibited a higher subcooling temperature of 8.07 ºC and driving force of 1.49 MPa in presence of 2wt% salt. In case of ternary system (CH4-C3H8-CO2) composition of (10:80:10) provided a good subcooling temperature of 12.86 ºC for hydrate formation. The results favour CO2-C3H8 as preferred hydrate formers for hydrate- based desalination. This is attributed due to the formation of sII structure and as it constitutes 136 water molecules which signifies a huge potential of producing more quantity of treated water.

Download Full-text

Catalytic hydrogenation of binary and ternary mixtures of unsaturated substances in the liquid phase on platinum

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19792378 ◽

1979 ◽

Vol 44 (8) ◽

pp. 2378-2383 ◽

Cited By ~ 9

Author(s):

Libor Červený ◽

Radka Junová ◽

Vlastimil Růžička

Keyword(s):

Liquid Phase ◽

Binary Mixtures ◽

Silica Gel ◽

Catalytic Hydrogenation ◽

Ternary Systems ◽

Ternary Mixtures ◽

Unsaturated Alcohol ◽

Solvent Concentration ◽

Binary And Ternary Mixtures ◽

Hydrogenation Selectivity

Hydrogenation of olefinic substrates in binary and ternary mixtures using 5% Pt on silica gel as the catalyst was studied in normal conditions in the liquid phase with methanol or cyclohexane or in solvent-free systems. The effect of the solvent concentration on the selectivity of hydrogenation of the unsaturated alcohol-olefin binary mixtures was investigated. In ternary systems of unsaturated substrates, the effect of each of the substrates on the selectivity of hydrogenation of the remaining two substances was examined. Another system was found in which a jump change of the hydrogenation selectivity occurred on the vanishing of the fastest reacting substance.

Download Full-text