Phase diagrams of binary systems containing tricyanomethanide-based ionic liquids and thiophene or pyridine—New experimental data and PC-SAFT modelling

2015 ◽  
Vol 399 ◽  
pp. 105-114 ◽  
Author(s):  
Elena Lukoshko ◽  
Fabrice Mutelet ◽  
Kamil Paduszyński ◽  
Urszula Domańska
Keyword(s):  
Experimental Data ◽  
Ionic Liquids ◽  
Phase Diagrams ◽  
Binary Systems

scholarly journals Effect of Cation Structure in Quinolinium-Based Ionic Liquids on the Solubility in Aromatic Sulfur Compounds or Heptane: Thermodynamic Study on Phase Diagrams

Molecules ◽  
2020 ◽  
Vol 25 (23) ◽  
pp. 5687
Author(s):  
Marta Królikowska ◽  
Marek Królikowski ◽  
Urszula Domańska
Keyword(s):  
Ionic Liquids ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Ambient Pressure ◽  
Equilibrium Phase ◽  
Sulfur Compounds ◽  
Solution Temperature ◽  
Organic Sulfur Compounds ◽  
Nrtl Equation ◽  
Solid Liquid

Experimental and theoretical studies on thermodynamic properties of quinolinium-based ionic liquids (ILs) based on bis(trifluoromethylsulfonyl)imide anion (namely N-butyl-quinoloinium bis(trifluoromethylsulfonyl)imide, [BQuin][NTf2], N-hexylquinoloinium bis(trifluoromethyl-sulfonyl)imide, [HQuin][NTf2], and N-octylquinoloinium bis(trifluoromethyl-sulfonyl)imide, [OQuin][NTf2]) with aromatic sulfur compounds and heptane, as a model compound of fuel were examined in order to assess the applicability of the studied ionic liquids for desulfurization of fuels. With this aim, the temperature-composition phase diagrams of 13 binary mixtures composed of organic sulfur compounds (thiophene, benzothiophene, or 2-methylthiophene) or heptane and ionic liquid (IL) were investigated at ambient pressure. A dynamic method was used to determine the (solid–liquid) equilibrium phase diagrams in binary systems over a wide composition range and temperature range from T = 255.15 to 365.15 K up to the fusion temperature of ILs. The immiscibility gap with an upper critical solution temperature (UCST) was observed for each binary system under study. The influence of the alkane chain length of the substituent on the IL cation and of the sulfur compounds (the aromaticity of the solvent) was described. The experimental (solid + liquid) phase equilibrium dataset were successfully correlated using the well-known NRTL equation.

scholarly journals Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data

2014 ◽  
Vol 2014 ◽  
pp. 1-33 ◽  
Author(s):  
Mohammad Mezbahul-Islam ◽  
Ahmad Omar Mostafa ◽  
Mamoun Medraj
Keyword(s):  
Experimental Data ◽  
Phase Diagrams ◽  
Intermetallic Compounds ◽  
Binary Systems ◽  
Heat Of Formation ◽  
Model Parameters ◽  
Binary Phase Diagrams ◽  
Industrial Material ◽  
Structural Applications ◽  
Potential Weight

Magnesium-based alloys are becoming a major industrial material for structural applications because of their potential weight saving characteristics. All the commercial Mg alloys like AZ, AM, AE, EZ, ZK, and so forth series are multicomponent and hence it is important to understand the phase relations of the alloying elements with Mg. In this work, eleven essential Mg-based binary systems including Mg-Al/Zn/Mn/Ca/Sr/Y/Ni/Ce/Nd/Cu/Sn have been reviewed. Each of these systems has been discussed critically on the aspects of phase diagram and thermodynamic properties. All the available experimental data has been summarized and critically assessed to provide detailed understanding of the systems. The phase diagrams are calculated based on the most up-to-date optimized parameters. The thermodynamic model parameters for all the systems except Mg-Nd have been summarized in tables. The crystallographic information of the intermetallic compounds of different binary systems is provided. Also, the heat of formation of the intermetallic compounds obtained from experimental, first principle calculations and CALPHAD optimizations are provided. In addition, reoptimization of the Mg-Y system has been done in this work since new experimental data showed wider solubility of the intermetallic compounds.

Thermodynamic Database of the Phase Diagrams in the Sc-X Binary Systems

2016 ◽  
Vol 850 ◽  
pp. 439-443 ◽  
Author(s):  
Jia Lian Li ◽  
Shu Liang Wang ◽  
Xue Qin ◽  
Yu Heng Li ◽  
Lu Jiang Zhou ◽  
...  
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Regular Solution Model ◽  
Thermodynamic Database ◽  
Free Energies ◽  
Positive Effects ◽  
Sc Addition ◽  
Welding Properties

Sc-based alloys have been used as aero-structures materials, and Sc addition on wrought alloys has positive effects on weldability and welding properties. Phase diagrams play an effective role during the development of new type of alloy with good properties. Therefore, to establish the thermodynamic database of Sc-X binary systems is important and necessary.In the present work, the thermodynamic assessments of Sc-X (Ag, B, Cr, Er, Gd, Mo, Th, W, Y, Zr) binary systems was carried out by using CALPHAD (Calculation of Phase Diagrams) method based on the experimental data including thermodynamic properties and phase equilibria. The Gibbs free energies of the solution phases were described by the sub-regular solution model with the Redlich-Kister equation, and those of the intermetallic compounds were described by the sub-lattice model. A set of self-consistent thermodynamic parameters were derived for describing the Gibbs free energies of each solution phase and intermetallic compound. The calculated phase diagrams and thermodynamic properties are in good agreement with experimental data. The thermodynamic database of the Sc-X (Al, Ag, B, Ca, Co, Cr, Cu, Er, Fe, Ga, Gd, Ge, La, Li, Mg, Mn, Mo, Ni, Pb, Pd, Ru, Sn, Th, W, Y, Zn, Zr) binary systems have been developed, which can provide much important thermodynamic information for multicomponent Al-Sc based alloys.

Thermodynamic Database of the Phase Diagrams in the Au-RE Binary Systems

2016 ◽  
Vol 850 ◽  
pp. 433-438 ◽  
Author(s):  
Yu Heng Li ◽  
Fei Xu ◽  
Peng Wu Yang ◽  
Jia Lian Li ◽  
Lu Jiang Zhou ◽  
...  
Keyword(s):  
Experimental Data ◽  
Phase Equilibrium ◽  
Thermodynamic Properties ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Thermodynamic Database ◽  
Free Energies ◽  
Significant Information ◽  
Lead Free Solders ◽  
Further Development

The thermodynamic database has been developed for Au-RE binary systems. Based on the experimental data including thermodynamic properties and phase equilibrium, the thermodynamic assessments of phase diagrams in the Au-RE (RE: Nd, Dy, Yb, Gd, Tb, Sm, Lu) binary systems were carried out by using the CALPHAD (Calculation of Phase Diagrams) method. The Gibbs free energies of the solution phases were described by substitutional solution model, and all of the intermetallic compounds were described by sublattice models. The calculated phase diagrams are congruent with the available experimental data. Combined with the assessed Au-RE (RE: La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu) binary systems, the thermodynamic database of Au-RE binary systems has been developed, and some significant information of thermodynamic properties and phase equilibrium could be calculated, which is important for the further development of Sn-Au-RE high-temperature lead-free solders.

scholarly journals Systematic of binary phase diagrams, formed by low-melting elements (Bi, Sn, Zn, In) and the metals of IV-th and V-th periods

2005 ◽  
Vol 41 (1) ◽  
pp. 79-93 ◽  
Author(s):  
G. Vassilev
Keyword(s):  
Experimental Data ◽  
Theoretical Prediction ◽  
Phase Diagrams ◽  
Enthalpy Of Formation ◽  
Binary Systems ◽  
Size Factor ◽  
Miedema Model ◽  
Metallic Elements ◽  
Binary Phase ◽  
Binary Phase Diagrams

Systematic discussion of the binary phase diagrams formed by low-melting elements (Bi, Sn, Zn, In) and the metallic elements of IV-th and V-th periods has been done. Some options for theoretical prediction of the type of the phase diagrams relying on general criteria (enthalpy of formation, assessed by the Miedema model, and size factor) have been applied, and compared with experimental data about the respective binary systems. The systematization helps to determine the scope and the limits of such an approach. These predictions have been compared with experimental data about the respective binary systems studied by the author. Forecasts for the general features of some unknown binary systems have been deduced.

Calculation of phase diagrams and thermodynamic properties of 14 additive and reciprocal ternary systems containing Li2CO3, Na2CO3, K2CO3, Li2SO4, Na2SO4, K2SO4, LiOH, NaOH, and KOH

1984 ◽  
Vol 62 (3) ◽  
pp. 457-474 ◽  
Author(s):  
A. D. Pelton ◽  
C. W. Bale ◽  
P. L. Lin
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Molten Salt ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Ternary Systems ◽  
Maximum Error ◽  
Critical Assessment

Phase diagrams and thermodynamic properties of five additive molten salt ternary systems and nine reciprocal molten salt ternary systems containing the ions Li+, Na+, [Formula: see text], OH− are calculated from the thermodynamic properties of their binary subsystems which were obtained previously by a critical assessment of the thermodynamic data and the phase diagrams in these binary systems. Thermodynamic properties of ternary liquid phases are estimated from the binary properties by means of the Conformal Ionic Solution Theory. The ternary phase diagrams are then calculated from these thermodynamic properties by means of computer programs designed for the purpose. It is found that a ternary phase diagram can generally be calculated in this way with a maximum error about twice that of the maximum error in the binary phase diagrams upon which the calculations are based. If, in addition, some reliable ternary phase diagram measurements are available, these can be used to obtain small ternary correction terms. In this way, ternary phase diagram measurements can be smoothed and the isotherms drawn in a thermodynamically correct way. The thermodynamic approach permits experimental data to be critically assessed in the light of thermodynamic principles and accepted solution models. A critical assessment of error limits on all the calculated ternary diagrams is made, and suggestions as to which composition regions merit further experimental study are given.

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