Calphad description of the Ge-Mn system

2014 ◽  
Vol 1642 ◽  
Author(s):  
Alexandre Berche ◽  
Jean-Claude Tédenac ◽  
Philippe Jund ◽  
Stéphane Gorsse
Keyword(s):  
Phase Diagram ◽  
Liquid Phase ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Critical Review ◽  
Thermodynamic Description ◽  
Calphad Method ◽  
Review Of The Literature ◽  
Solid Phases

ABSTRACTThe germanium-manganese system has been experimentally studied but no Calphad description is available yet. After a critical review of the literature concerning the phase diagram and the thermodynamic properties, a thermodynamic description of the Gibbs energy of the phases is performed using the Calphad method. The liquid phase is described with an associated model and the variation to the stoichiometry of the solid phases is taken into account.

Modeling of the Thermodynamics of the Pseudobinary RbCl-GdCl3 System

2007 ◽  
Vol 62 (5-6) ◽  
pp. 270-274 ◽  
Author(s):  
Iwona Rutkowska ◽  
Jan Kapała
Keyword(s):  
Mass Spectrometry ◽  
Phase Diagram ◽  
Liquid Phase ◽  
Thermodynamic Properties ◽  
Optimization Procedure ◽  
Calphad Method ◽  
Knudsen Effusion ◽  
Gibbs Energies ◽  
Liquid Phases ◽  
Knudsen Effusion Mass Spectrometry

The Gibbs energies of formation of the pseudobinary compounds Rb3GdCl6(s) and RbGd2Cl7(s) from the constituent metal halides, determined by Knudsen effusion mass spectrometry, were compared with the thermodynamic properties of the solid and liquid phases of the RbCl-GdCl3 system, obtained by different methods. The compatibility of the results obtained in this work for pseudobinary compounds with literature data was assessed by an optimization procedure using the CALPHAD method. The liquid phase in the RbCl-GdCl3 system was described by the associate model. The phase diagram, thermodynamic functions of mixing of the system studied, and the Gibbs energies of formation of the pseudobinary compounds: Rb2GdCl5(s), Rb3GdCl6(s), and RbGd2Cl7(s) resulted from this optimization procedure.

scholarly journals Thermodynamic investigation of liquid properties of the Ni–Sn–Ti ternary system using CALPHAD method and geometric models

2016 ◽  
Vol 1 (4) ◽  
pp. 14
Author(s):  
Vanya Gandova
Keyword(s):  
Liquid Phase ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Excess Gibbs Energy ◽  
Geometric Model ◽  
Calphad Method ◽  
Geometric Models ◽  
Molar Excess Gibbs Energy ◽  
Molar Excess ◽  
Ternary Parameters

Predictions for the liquid Ni–Sn–Ti alloys thermodynamic properties (molar excess Gibbs energy) are presented. The calculations were performed in the temperature range 1000–2000 K.  Geometric models (using data from the binary end-systems) were used and the respective calculated molar excess Gibbs energy values were compared to CALPHAD method assessments. The concentration dependences of the liquid phase thermodynamic properties along different vertical sections Sn:Ti, Ni:Ti and Ni:Sn were estimated.Ternary interaction parameters (L0, L1 and L2) of the liquid phase were determined using General solution (geometric) model from thermodynamic data of the binary end–systems (Ni–Sn, Ni–Ti, Sn–Ti).  Ternary parameters exhibit values: L0 = - 70360.5 - 0.263*T; L1 = -113023 - 11.574*T; L2 = - 131755 - 17.101*T. Negative molar excess Gibbs energies were obtained by all models.

Thermodynamic descriptions of the Cu–Zn system

2008 ◽  
Vol 23 (1) ◽  
pp. 258-263 ◽  
Author(s):  
Wojciech Gierlotka ◽  
Sinn-wen Chen
Keyword(s):  
Phase Diagram ◽  
Liquid Phase ◽  
Thermodynamic Properties ◽  
Alloy System ◽  
Experimental Information ◽  
Calphad Method ◽  
Body Centered Cubic ◽  
Binary Alloy System ◽  
Bcc Phase ◽  
Good Agreement

Cu–Zn is an important binary alloy system. In the interested temperature range from 300 to 1500 K, there are eight phases, liquid, Cu, β, β′, γ, δ, ϵ, and Zn phases. The thermodynamic descriptions of the Cu–Zn system are reassessed using the CALPHAD method. A new description of liquid phase and simplified description of body-centered cubic (bcc) phase are proposed. Good agreement has been found among the calculated thermodynamic properties, phase diagram, and the experimental information.

scholarly journals Phase diagram of the β-alanine – water binary system

2021 ◽  
Vol 21 (1) ◽  
pp. 44-47
Author(s):  
Dmitry G. Cherkasov ◽  
◽  
Varvara D. Parfenova ◽  
Keyword(s):  
Phase Diagram ◽  
Liquid Phase ◽  
Binary System ◽  
Temperature Range ◽  
Visual Polythermal Method ◽  
Solid Phases ◽  
First Time

The phase diagram of the β-alanine–water binary system was studied using the visual polythermal method and the method of time–temperature curves in а temperature range of -20–90°С. There is a eutectic equilibrium at -18.3°С in the system; the solid phases of this equilibrium are ice and individual β-alanine. For the first time, the composition of the liquid phase of the eutectic state was determined.

scholarly journals Thermodynamic modeling of the Fe−Zn system using exponential temperature dependence for the excess Gibbs energy

2011 ◽  
Vol 47 (1) ◽  
pp. 1-10 ◽  
Author(s):  
Y. Tang ◽  
X. Yuan ◽  
Y. Du ◽  
W. Xiong
Keyword(s):  
Experimental Data ◽  
Liquid Phase ◽  
Binary System ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Excess Gibbs Energy ◽  
Miscibility Gap ◽  
Exponential Equation ◽  
Self Consistent ◽  
Exponential Temperature Dependence

The Fe-Zn binary system was re?modeled using exponential equation Li=hi?exp(-T/?i) (i=0,1,2?) to describe the excess Gibbs energy of the solution phases and intermetallic compounds with large homogeneities. A self-consistent set of thermodynamic parameters is obtained and the calculated phase diagrams and thermodynamic properties using the exponential equation agree well with the experimental data. Compared with previous assessments using the linear equation to describe the interaction parameters, the artificial miscibility gap at high temperatures was removed. In addition, the calculated thermodynamic properties of the liquid phase were more reasonable than those resulting from all the previous calculations. The present calculations yield noticeable improvements to the previous calculations.

scholarly journals Diagram Fase dan Sifat Termodinamik Campuran Biner Ketoprofen-Asam Suksinat

2018 ◽  
Vol 19 (2) ◽  
pp. 99
Author(s):  
Yudi Wicaksono ◽  
Dwi Setyawan ◽  
S. Siswandono
Keyword(s):  
Phase Diagram ◽  
Liquid Phase ◽  
Thermodynamic Properties ◽  
Succinic Acid ◽  
Binary Mixtures ◽  
Equilibrium Phase ◽  
Heat Of Fusion ◽  
Eutectic System ◽  
Eutectic Type ◽  
Solid Liquid

The equilibrium phase diagram and thermodynamic properties of a mixture of drugs and additives are information related to various possible interaction processes between components. Therefore, we conducted a study of the phase diagrams and thermodynamic properties of binary mixtures of ketoprofen-succinic acid to estimate the types of interactions that may occur between these materials. The solid-liquid phase diagram of ketoprofen-succinic acid binary mixtures was determined by differential scanning calorimetry and composition of eutectic system was determined accurately using a Tamman diagram. The measurement of binary mixtures of ketoprofen-succinic acid with differential scanning calorimeter obtained the value of melting temperature and heat of fusion of ketoprofen- succinic acid system. The solid-liquid phase diagram of ketoprofen- succinic acid showed the formation of eutectic type phase diagram. The Tamman diagram showed accurately composition of the eutectic system of the Kp-SA binary mixtures at the mole fraction of Kp 0.87 and temperature 96.9oC.Keywords: ketoprofen, phase diagram, eutectic system, Tamman diagram

Thermodynamic description of Ge-Mn-Si

2014 ◽  
Vol 1642 ◽  
Author(s):  
Alexandre Berche ◽  
Jean-Claude Tédenac ◽  
Philippe Jund ◽  
Stéphane Gorsse
Keyword(s):  
Solid Solution ◽  
Gibbs Energy ◽  
First Principles ◽  
Thermodynamic Description ◽  
Intermetallic Phases ◽  
Calphad Method ◽  
Enthalpies Of Formation ◽  
Mixing Enthalpy ◽  
First Principles Calculations ◽  
First Time

ABSTRACTLiterature data of the Mn-Si system is analyzed and discordances are pointed out. First principles calculations are performed to clarify the enthalpies of formation of the intermetallic phases. Especially the enthalpies of formation of the various possible structures of the MnSix are discussed. On the basis of these new data, a thermodynamic description of the Gibbs energy of the phases is performed using the Calphad method. The system Ge-Mn is also assessed using the Calphad method for the first time.The mixing enthalpy in the D88 solid solution is calculated between Mn5Ge3 and Mn5Si3 by DFT calculations.Finally a thermodynamic description of the ternary system is suggested. Especially the solubility of germanium in MnSix is modeled.

scholarly journals Experimental and thermodynamic description of ternary Bi-Cu-Ga system

2017 ◽  
Vol 53 (3) ◽  
pp. 189-201 ◽  
Author(s):  
D. Minic ◽  
Y. Du ◽  
M. Premovic ◽  
D. Manasijevic ◽  
N. Talijan ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Ternary Phase ◽  
Energy Dispersive Spectrometry ◽  
Thermodynamic Description ◽  
Calculated Phase Diagram ◽  
Calphad Method ◽  
Experimental Result ◽  
Liquidus Phase ◽  
Ternary Phase Diagrams ◽  
Good Agreement

Phase diagram of the Bi-Cu-Ga ternary system has been investigated experimentally with 27 alloys and analytically by using a Calphad method. Thirteen annealed alloys at 200?C were investigated by using scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and X-ray powder diffraction (XRD) methods. Temperatures of phase transformation were determined with 14 alloys which are lying along three vertical sections Bi-Cu0.5Ga0.5, Cu-Bi0.5Ga0.5 and Ga-Bi0.5Cu0.5 by using differential thermal analysis (DTA). Based on the experimental result and by using Calphad method, ternary phase diagrams were constructed with a new description of liquidus phase. Calculated phase diagram and experimentally obtained results are in good agreement. Liquidus projection and invariant reaction were calculated by using new thermodynamic parameters for liquidus phase.

Sign in / Sign up

Export Citation Format

Share Document