Improvement of excess parameters from thermodynamic and phase diagram data by a sequential Bayes algorithm

Königsberger, Erich

doi:10.1016/0364-5916(91)90027-h

Cited by 37 publications

(14 citation statements)

References 21 publications

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“…AlSn in the COST 507 [8] database and in Miettinen' s paper [12], as well as L (3) CuSn in the COST 531 [9] database (see Table 2)) the expressions including the quantities in Eq. (6a) are also zero.…”

Section: Determination Of Thermodynamic Quantities Of Mixing By Convementioning

confidence: 99%

“…However, for ternary and quaternary systems, the greater number of solid phases makes the situation more complex and less experimental activity data and phase diagram information exist. In general, it is possible to obtain the interaction parameters from various experimental data including a phase diagram, chemical potential, thermodynamic activity, and enthalpy data by either trial and error or better still mathematically using the CALPHAD methods [1][2][3].…”

Section: Introductionmentioning

confidence: 99%

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Knudsen effusion mass spectrometric determination of mixing thermodynamic data of liquid Al–Cu–Sn alloy

Bencze

Milačič

Jačimović

et al. 2010

International Journal of Mass Spectrometry

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Keywords:Knudsen effusion mass spectrometry Redlich-Kister-Muggianu model Activity Excess Gibbs energy Ternary and binary L-parameter a b s t r a c tThe vaporisation of a liquid Al-Cu-Sn system has been investigated at 1273-1473 K by Knudsen effusion mass spectrometry (KEMS) and the data fitted to a Redlich-Kister-Muggianu (RKM) sub-regular solution model. Thirty-one different compositions (41 samples) have been examined at eight fixed copper mole fractions, X Cu = 0.10, 0.20, 0.30, 0.333, 0.40, 0.50, 0.60 and 0.70. The ternary L-parameters, the thermodynamic activities and the thermodynamic functions of mixing have been evaluated using standard KEMS procedures. In addition, the same quantities were obtained from the measured ion intensity ratios of Al + to Cu + , Al + to Sn + and Cu + to Sn + using a mathematical regression technique. The intermediate data obtained directly are the RKM ternary L-parameters that are, as a function of temperature, as follows:(0) = (14270 ± 1270) + (100.1 ± 7.6)T − (11.77 ± 0.93)T ln(T ); L (1) = (145600 ± 9780) + (101.6 ± 58.7)T − (15.56 ± 7.14)T ln(T ); L (2) = (76730 ± 1240) + (79.2 ± 7.4)T − (15.69 ± 0.91)T ln(T ).From the obtained ternary L-parameters the integral molar excess Gibbs energy, the excess chemical potentials, the activity coefficients and the activities have been evaluated. Using the temperature dependence of the activities, the integral and partial molar excess enthalpies and entropies can be also determined. In addition, for comparison, for some compositions, the Knudsen effusion isothermal evaporation method (IEM) and the Gibbs-Duhem ion intensity ratio method (GD-IIR) were used to determine activities and good agreement was obtained from the RKM model.

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Section: Determination Of Thermodynamic Quantities Of Mixing By Convementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Knudsen effusion mass spectrometric determination of mixing thermodynamic data of liquid Al–Cu–Sn alloy

Bencze

Milačič

Jačimović

et al. 2010

International Journal of Mass Spectrometry

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“…This program package includes an optimization routine [25], which makes it possible to optimize the Gibbs energies of formation of the phases of the system by means of the least squares method [26] using simultaneously thermodynamic and phase diagram data. In the present optimization, the Gibbs energies of formation of the phases listed in Table 2, the DTA results listed in Table 3, and the eutectic on the Pt-rich side at x La = 0.05 and T = 1913 ± 15 K [17] were used as experimental input data.…”

Section: Optimizationmentioning

confidence: 99%

Constitution and thermodynamics of Pt–La alloys

Reimann

Schaller

2006

Journal of Alloys and Compounds

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“…The Pb-Sn system belongs to those of the eutectic type (T = 183°C, x Sn = 0.74), and there is a rather wide range of lead-based solid solutions [116,117]. According to the reference book [39], γ ∞ Sn = 6.816, ln γ ∞ Sn = 1.919, (∆G Sn ex ) ∞ = 16.75 kJ mol -1 , ∆H ∞ Sn = 6.28 kJ mol -1 , (∆S Sn ex ) ∞ = 9.98 J mol -1 K -1 at 777°C.…”

Section: Lead-tin Systemmentioning

confidence: 99%

Thermodynamic properties of dilute solutions of various elements in liquid lead

Морачевский

2014

Russ J Appl Chem

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Published evidence about the thermodynamic properties of dilute solutions of various elements in liquid lead are reviewed. Particular attention is given to the characteristic impurities in lead smelted both from ores and from secondary raw materials and also to alkali and alkaline-earth metals whose behavior is of interest for electrolysis processes with a liquid lead cathode. In experimental data processing, the activity coeffi cient of a component at infi nite dilution was estimated by using, when necessary, the analytical representation of the concentration dependence of thermodynamic functions and various graphical extrapolation procedures.

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Improvement of excess parameters from thermodynamic and phase diagram data by a sequential Bayes algorithm

Cited by 37 publications

References 21 publications

Knudsen effusion mass spectrometric determination of mixing thermodynamic data of liquid Al–Cu–Sn alloy

Knudsen effusion mass spectrometric determination of mixing thermodynamic data of liquid Al–Cu–Sn alloy

Constitution and thermodynamics of Pt–La alloys

Thermodynamic properties of dilute solutions of various elements in liquid lead

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