Representation of thermodynamic properties of quaternary systems using interaction parameters

1997 ◽  
Vol 68 (9) ◽  
pp. 375-382 ◽  
Author(s):  
Jnan Prakash Hajra ◽  
Rengaswamy Jayaganthan ◽  
Mantha Divakar
Keyword(s):  
Thermodynamic Properties ◽  
Interaction Parameters ◽  
Quaternary Systems

A Thermodynamic Approach to the Calculation of the C-Cr-Nb-Ni-W Phase Diagram

1982 ◽  
Vol 19 ◽  
Author(s):  
P.Y. Chevalier ◽  
J.N. Barbier ◽  
I. Ansara
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Binary Systems ◽  
Thermodynamic Approach ◽  
Phase Boundaries ◽  
Quaternary Systems ◽  
Methods Of Calculation

ABSTRACTThe phase boundaries of the C-Cr-Nb-Ni-W system are calculated from the available thermodynamic properties of the limiting binary systems. The methods of calculation and the models used in the description of the ternary and quaternary systems are presented as well as the influence of tungsten on the solubility of the M23C6 phase in the nickel rich alloys.

Numerical Prediction of the Thermodynamic Properties of Ternary Al-Ni-Pd Alloys

2016 ◽  
Vol 35 (1) ◽  
pp. 37-45
Author(s):  
Maryana Zagula-Yavorska ◽  
Jolanta Romanowska ◽  
Sławomir Kotowski ◽  
Jan Sieniawski
Keyword(s):  
Thermodynamic Properties ◽  
Ternary System ◽  
Boundary Conditions ◽  
Mole Fraction ◽  
Thermodynamic Functions ◽  
Binary Systems ◽  
Interaction Parameters ◽  
Ternary Interaction ◽  
The Third ◽  
Gibbs Triangle

AbstractThermodynamic properties of ternary Al-Ni-Pd system, such as exGAlNPd, µAl(AlNiPd),µNi(AlNiPd) and µPd(AlNiPd) at 1,373 K, were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting exGAlNiPd values was regarded as calculation of values of the exG function inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of exG on all legs of the triangle are known (exGAlNi, exGAlPd, exGNiPd). This approach is contrary to finding a function value outside a certain area, if the function value inside this area is known. exG and LAl,Ni,Pd ternary interaction parameters in the Muggianu extension of the Redlich–Kister formalism were calculated numerically using the Excel program and Solver. The accepted values of the third component xx differed from 0.01 to 0.1 mole fraction. Values of LAlNiPd parameters in the Redlich–Kister formula are different for different xx values, but values of thermodynamic functions: exGAlNiPd, µAl(AlNiPd), µNi(AlNiPd) and µPd(AlNiPd) do not differ significantly for different xx values. The choice of xx value does not influence the accuracy of calculations.

Thermodynamic properties, intermolecular interaction parameters, and structure of aqueous amide solutions of ammonium and tetraalakylammonium bromides

2008 ◽  
Vol 49 (2) ◽  
pp. 278-284
Author(s):  
A. V. Kustov ◽  
N. L. Smirnova ◽  
O. A. Antonova ◽  
M. A. Krest’yaninov ◽  
N. I. Zheleznyak ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Intermolecular Interaction ◽  
Interaction Parameters

scholarly journals Thermodynamic properties of iron, aluminum, boron and phosphorus in dilute silicon solutions by molecular interaction volume model

2020 ◽  
Vol 56 (1) ◽  
pp. 69-76
Author(s):  
S.-Y. Li ◽  
K. Liu ◽  
F. Yang ◽  
F.-S. Xi ◽  
J.-J. Wu ◽  
...  
Keyword(s):  
Thermodynamic Properties ◽  
Activity Coefficients ◽  
Molecular Interaction ◽  
Interaction Parameters ◽  
Interaction Volume ◽  
Volume Model ◽  
Iron Aluminum ◽  
Concentration Dependences ◽  
Temperature Dependences ◽  
Molecular Interaction Volume Model

The thermodynamic properties of impurity components in silicon solutions play an important role in the chemical removal process to the metallurgical route. In this paper, the component activity coefficients and interaction parameters of dilute silicon solutions were estimated by the molecular interaction volume model (MIVM). The activity coefficients (?i) of component i in dilute binary Si-i and ternary Si-i-j solutions at 1687-1873 K were firstly calculated. The concentration dependences of the interaction parameter and activity coefficient were also obtained. The self-interaction parameters (?i,i) for Si-i system were obtained as ?B,B= -2.728-362.031/T, ?Al,Al = 2.157-1876.776/T, ?Fe,Fe= -4.842+14445.926/T and ?P,P = -2.543+13767.036/T. At the same time, the interaction parameters among components B, Al, and Fe in dilute ternary Sii- j solutions were also derived as ?Fe,B=-1.2758-2946.306/T, ?Al,B = 0.7467-9765.9298/T and ?Fe,Al= -1.39677+3319.6803/T. Most important of all, the temperature dependences of the interaction parameters and activity coefficients in dilute Si-i and Si-i-j solutions with a certain i or j concentration were deduced. The results show that the predicted self-interaction parameters of B, Al, Fe, and P in binary silicon solutions reasonably agree with the experimental data. This further shows that MIVM is of reliability and can be expanded to a multi-component dilute silicon solution.

UNIFAC calculation of thermodynamic properties of binary 1-chloroalkane + alkane and α,ω-dichloroalkane + alkane mixtures: Comparison with Nitta–Chao and DISQUAC predictions

2003 ◽  
Vol 81 (5) ◽  
pp. 392-405 ◽  
Author(s):  
J García ◽  
E R López ◽  
M JP Comuñas ◽  
L Lugo ◽  
J Fernández
Keyword(s):  
Thermodynamic Properties ◽  
Proximity Effect ◽  
Interaction Parameters ◽  
Mean Deviation ◽  
Geometrical Parameters ◽  
Unifac Model ◽  
Methylene Groups ◽  
Using Data ◽  
Vapor Liquid Equilibria ◽  
Parameter Values

Data available in the literature for vapor–liquid equilibria, activity coefficients at infinite dilution, and enthalpies of mixing for binary mixtures of 1-chloroalkanes or dichloroalkanes with alkanes are used to determine interaction parameters for three versions of the UNIFAC model – the Tassios et al., Larsen et al., and Gmehling et al. versions. The interaction parameters for chlorine and methyl or methylene groups are calculated using data for the thermodynamic properties of 1-chloroalkane + alkane mixtures. In the case of the Gmehling version, the geometrical parameters for chlorine are also determined. In addition, structure-dependent interaction parameters for α,ω-dichloroalkane + alkane mixtures are presented, taking into account the proximity effect. When the two chlorine atoms of the dichloroalkane are more separated, they become more independent, and the reported values of the interaction parameters approach those of 1-chloroalkane. For all of the properties studied the mean deviation obtained with the new parameter values is lower than that obtained with older values. The results for the thermodynamic properties obtained using the new parameters of the three versions of UNIFAC are compared with those of DISQUAC and Nitta–Chao models. Key words: alkanes, chloroalkanes, DISQUAC, excess thermodynamic properties, proximity effect, UNIFAC.

Enthalpic interactions in aqueous strong electrolytes upon addition of ionic liquids

2018 ◽  
Vol 20 (16) ◽  
pp. 11089-11099 ◽  
Author(s):  
Preeti Jain ◽  
Anil Kumar
Keyword(s):  
Ionic Liquids ◽  
Thermodynamic Properties ◽  
Molar Enthalpy ◽  
Partial Molar Enthalpy ◽  
Interaction Parameters ◽  
Ionic Interactions ◽  
Enthalpic Interaction ◽  
Strong Electrolytes ◽  
Relative Apparent Molar Enthalpy ◽  
Excess Partial Molar Enthalpy

The present study deals with the inter-ionic interactions between strong electrolytes and ionic liquids based on the thermodynamic properties such as excess partial molar enthalpy, HEIL, relative apparent molar enthalpy, ϕL, and the enthalpic interaction parameters.

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