Thermodynamic Optimization and Calculation of the LaCl3-CaCl2 System

2019 ◽  
Vol 815 ◽  
pp. 15-20
Author(s):  
Yu Wang ◽  
Yun Wu ◽  
Jie Yang ◽  
Jin Song Xie ◽  
Qi Yi Yin
Keyword(s):  
Phase Diagram ◽  
Eutectic Point ◽  
Phase Diagram Data ◽  
Enthalpy Of Mixing ◽  
Calphad Method ◽  
Model Parameters ◽  
Thermodynamic Evaluation ◽  
Gibbs Energies ◽  
Liquid Phases ◽  
Calculated Enthalpy

A thermodynamic evaluation of the binary LaCl3-CaCl2 system was carried out by using CALPHAD method. The Modified Quasihelical Model was defined in order to describe the Gibbs energies of the liquid phases, and the model parameters were optimized from the experimental thermodynamic and phase diagram data. The phase diagram and the enthalpy of mixing of LaCl3-CaCl2 liquid were calculated. For LaCl3-CaCl2, a calculated eutectic point was observed at 924.82 K, 34.8 mol. % LaCl3. The calculated enthalpy of mixing is exothermic, the minimum was found at approximately 30 mol. % LaCl3. The thermodynamic properties and the phase diagram calculated from the optimized parameters agree well with the experimental data.

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.

Thermodynamics and Microstructure of Co-V8C7 Alloy

2005 ◽  
Vol 492-493 ◽  
pp. 523-530 ◽  
Author(s):  
Shui Gen Huang ◽  
Lin Li ◽  
Jef Vleugels ◽  
Omer Van der Biest
Keyword(s):  
Phase Diagram ◽  
Vertical Section ◽  
Carbon Activity ◽  
Calphad Method ◽  
Model Parameters ◽  
Dsc Analysis ◽  
Scanning Calorimetry ◽  
Isothermal Sections ◽  
Forming Temperature ◽  
The Individual

The thermodynamic properties of the Co-V-C and Co-V8C7 systems are of interest for superfine cemented carbide applications. The model parameters for the Gibbs energy of the individual phases have been evaluated using the CALPHAD method by combining the recently optimized phase diagram information of the V-C, Co-C and Co-V system. The isothermal sections of ternary system Co-V-C at 1400 °C and 1600 °C, as well as the vertical section of Co-V8C7 system were extrapolated. The calculated results, especially the liquid forming temperature of Co-V8C7 system was validated with experiments by using differential scanning calorimetry (DSC) analysis. Through controlling the carbon activity, various vertical sections with different carbon activity in Co-V8C7 system are presented.

Thermodynamic Evaluation and Assessment of the Ti-U Binary System

2012 ◽  
Vol 187 ◽  
pp. 272-277 ◽  
Author(s):  
Zhan Min Cao ◽  
Kun Peng Wang ◽  
Guang Wei Du ◽  
Zhi Yu Qiao
Keyword(s):  
Phase Diagram ◽  
Binary System ◽  
Thermodynamic Description ◽  
Phase Diagram Data ◽  
Thermodynamic Evaluation ◽  
Miedema Model ◽  
Experimental Phase ◽  
Experimental Phase Diagram ◽  
Thermo Calc Software ◽  
Good Agreement

The thermodynamic description of the Ti-U binary system is obtained by the CALPHAD method using Thermo-Calc software and based on the estimated thermodynamic properties using ion-bonding model and Miedema model as well as the experimental phase diagram information. The liquid, αU, βU, δTi, and γ phases are assumed to be substitutional solutions with Redlich-Kister formula for the expressions of their excess Gibbs energy. The intermetallic compound TiU2 is treated as a stoichiometric compound. The calculated phase equlibria are in good agreement with the estimated and available experimental phase diagram data.

The Phase Diagram of Butylated Hydroxytoluene and Paracresol System

2013 ◽  
Vol 739 ◽  
pp. 125-130
Author(s):  
Yan Fei Wang ◽  
Ya Wei Hou ◽  
Yue Wen Liu ◽  
Zuo Liang Sha
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Solid State ◽  
Eutectic Point ◽  
Phase Diagram Data ◽  
Melting Process ◽  
Butylated Hydroxytoluene ◽  
Eutectic System ◽  
Wilson Model ◽  
Binary Eutectic

The phase diagram was experimentally determined by measuring the melting process for butylated hydroxytoluene (BHT)/paracresol system with differential scanning calorimeter (DSC). It was confirmed that this system is a binary eutectic system. Experimental results showed that the binary system is completely miscible in the liquid state and completely immiscible in the solid state. The compositions of the eutectic point were 28.37/ 71.63(BHT /Paracresol, mass percent) in the T-X phase diagram. The phase diagram data was modeled by different models, and it was found that Wilson model give better description of the experimental data.

Thermodynamic Re-Assessment of the Co-Nb System

2008 ◽  
Vol 1128 ◽  
Author(s):  
Cuiyun He ◽  
Frank Stein ◽  
M. Palm ◽  
Dierk Raabe
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Assessment ◽  
Phase Diagram Data ◽  
Calculated Phase Diagram ◽  
Experimental Phase ◽  
Laves Phases ◽  
Experimental Phase Diagram ◽  
Gibbs Energies ◽  
The Individual

AbstractA new thermodynamic assessment of the Co-Nb system is presented. All experimental phase diagram data available from the literature have been critically reviewed and assessed using thermodynamic models for the Gibbs energies of the individual phases (Thermo-Calc). Compared to previous assessments more elaborate models for the description of the C14 and C36 Laves phases and for the μ phase were employed. Thereby a calculated phase diagram is obtained which satisfactorily agrees with the experimental data.

scholarly journals Phase Diagram of Binary Alloy Nanoparticles under High Pressure

Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 2929
Author(s):  
Han Gyeol Kim ◽  
Joonho Lee ◽  
Guy Makov
Keyword(s):  
Phase Diagram ◽  
Phase Diagrams ◽  
Interaction Parameter ◽  
Excess Volume ◽  
Eutectic Temperature ◽  
Calphad Method ◽  
Alloy Nanoparticles ◽  
Thermodynamic Conditions ◽  
Nanoparticle System ◽  
Pressure Phase

CALPHAD (CALculation of PHAse Diagram) is a useful tool to construct phase diagrams of various materials under different thermodynamic conditions. Researchers have extended the use of the CALPHAD method to nanophase diagrams and pressure phase diagrams. In this study, the phase diagram of an arbitrary A–B nanoparticle system under pressure was investigated. The effects of the interaction parameter and excess volume were investigated with increasing pressure. The eutectic temperature was found to decrease in most cases, except when the interaction parameter in the liquid was zero and that in the solid was positive, while the excess volume parameter of the liquid was positive. Under these conditions, the eutectic temperature increased with increasing pressure.

scholarly journals Thermodynamic modeling of the Al-K system

2009 ◽  
Vol 45 (1) ◽  
pp. 89-93 ◽  
Author(s):  
Y. Du ◽  
X. Yuan ◽  
W. Sun ◽  
B. Hu
Keyword(s):  
Phase Diagram ◽  
Gas Phase ◽  
Thermodynamic Modeling ◽  
Phase Diagram Data ◽  
Ideal Gas ◽  
Monotectic Reaction ◽  
Present Calculation ◽  
Experimental Phase ◽  
Experimental Phase Diagram ◽  
Ideal Gas Model

A thermodynamic modeling for the Al-K system is conducted. The thermodynamic parameters for liquid, (Al), and (K) are evaluated by using the experimental phase diagram data from the literature. The gas phase is described with an ideal gas model. The calculated Al-K phase diagram agrees well with the experimental data. In particular, the observed monotectic reaction is well described by the present calculation.

Phase Diagram of the System LaCl3-CaCl2-NaCl

1987 ◽  
Vol 42 (12) ◽  
pp. 1421-1424 ◽  
Author(s):  
K. Igarashi ◽  
H. Ohtani ◽  
J. Mochinaga
Keyword(s):  
Phase Diagram ◽  
Ternary System ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Eutectic Point ◽  
Peritectic Point

The phase diagram of ternary system LaCl3-CaCl2-NaCl has been constructed from the phase diagrams of the three binary systems and of thirteen quasi-binary systems determined by DTA. For the binaries LaCl3-CaCl2 and CaCl2-NaCl eutectic points were observed at 651 °C , 35.1 mol% LaCl3 and at 508 °C , 49.9 mol% NaCl, respectively. For LaCl3-NaCl, a peritectic point besides the eutectic point at 545 °C , 36.1 mol% LaCl3 was found at 690 °C , 57.5 mol%, which is attributable to the formation of the peritectic compound 3 LaCl3 · NaCl. The phase diagram of the ternary system has a ternary eutetic point and a ternary peritectic point due to 3 LaCl3-NaCl, the form er at 462 °C and 12.1 - 3 9 .7 - 4 8 .2 mol% (LaCl3-CaCl2-NaCl) and the latter at 612 °C and 26.9 - 55.1 - 18.0 mol%.

Sign in / Sign up

Export Citation Format

Share Document