MOLTEN SALT PHASE DIAGRAMS CALCULATION USING ARTIFICIAL NEURAL NETWORK OR PATTERN RECOGNITION-BOND PARAMETERS Part 2.Prediction of phase diagrams of ternary molten salt systems

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Ternary phase diagrams and solvate transformation thermodynamics of omeprazole sodium in different solvent mixtures

Omeprazole sodium(OMS), a typical non-hydrogen bond donors API, is only available in solvates so far, including monohydrate, ethanol solvate and methanol solvate. The methanol solvate was found for the first time. Solvate transformation thermodynamics of OMS was studied in this paper. First, the ternary phase diagrams forming two solvates for OMS in binary solvent mixtures including methanol + water, ethanol + water, and methanol+ ethanol were measured at temperature ranging of T =(278.15 to 313.15) K under atmospheric pressure. Further, the standard equilibrium constants of the solvate transformation reactions were evaluated according to the chemical reaction isothermal equation. The standard molar Gibbs free energy, the standard molar enthalpy, and the standard molar entropy of solvate transformation reactions were then calculated based on van't Hoff equation. Moreover, the thermodynamic stability of the OMS solvate was analyzed based on phase diagram. The results are of great importance to develop a crystallization process for manufacturing OMS solvate, and could be helpful to other solvate transformation research.

Preparation of Y-Zr-Hf,Y-Zr-Nb Ternary Diffusion Couples and Phase Diagrams Determination

Work has been done in preparing ternary diffusion couple containing one rare earth element.Though rare earth is highly reactive,we have successfully prepared two ternary diffusion couples containing yttrium by means of special technique.By using electron microprobe analysis(EMPA),the two isothermal sections of Y-Zr-Hf and Y-Zr-Nb ternary systems at 1273K have been determined.The section of Y-Zr-Hf system consists of three one-phase regions,three two-phase regions and one three-phase region.And that of Y-Zr-Nb system consists of two one-phase regions and one two-phase region.The effeet of some factors on EMP measuring ac- curacy was also discussed.

FORMABILITY OF TERNARY INTERMEDIATE COMPOUNDS IN SOME MOLTEN SALT PHASE DIAGRAMS

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Phase Equilibrium and Phase Diagram of the Ternary System（MgCl2 + MgB2O4 + H2O） at 288 and 298 K

1 Introduction The brines with high concentrations of magnesium and boron resources are widely distributed in the Qaidam Basin of the Qinghai-Tibet plateau,China(Zheng&Tang,1988).Although some works on the ternary system

Collins Model and Phase Diagram of 2D Ternary System

The Collins model is introduced into the two-dimensional (2D) alternative ternary system having the Lennard-Jones (L-J) potential. The Gibbs free energy of this ternary system is calculated, and according to thermodynamic theory, a group of equations that determine the solid-liquid diagram of ternary system are derived, someisothermal sectional diagrams of the 2D ternary system are obtained. The results are quite similar to the behavior ofthree-dimensional substances.

Optimal parameter space for stabilizing the ferroelectric phase of Hf_(0.5)Zr_(0.5)O_(2) thin films under strain and electric fields

Hafnia-based ferroelectric materials, like Hf_(0.5)Zr_(0.5)O_(2)(HZO), have received tremendous attention owing to their potentials for building ultra-thin ferroelectric devices. The orthorhombic(O)-phase of HZO is ferroelectric but metastable in its bulk form under ambient conditions, which poses a considerable challenge to maintaining the operation performance of HZO-based ferroelectric devices. Here, we theoretically addressed this issue that provides parameter spaces for stabilizing the O-phase of HZO thin-films under various conditions. Three mechanisms were found to be capable of lowering the relative energy of the O-phase, namely, more significant surface-bulk portion of(111) surfaces, compressive c-axis strain,and positive electric fields. Considering these mechanisms, we plotted two ternary phase diagrams for HZO thin-films where the strain was applied along the in-plane uniaxial and biaxial, respectively. These diagrams indicate the O-phase could be stabilized by solely shrinking the film-thickness below 12.26 nm, ascribed to its lower surface energies. All these results shed considerable light on designing more robust and higher-performance ferroelectric devices.

PHASE DIAGRAM OF Bi-Pb-T1 TERNARY SYSTEM

Isothermal section at 25℃ of phase diagram and phase structure of Bi-Pb-Tl ternary system have been studied by means of room and high temperature X-ray diffraction and quenching.

THREE-DIMENSIONAL TOPOLOGICAL ANALYSIS OF Nd-Fe-B AND Pr-Fe-B PHASE DIAGRAMS

With the aid of 3-dimensional topological analysis methodology,relationships among phage regions on the isothermal section of the Nd-Fe-B phase diagram at 1000℃ and those on vertical sections of the Pr-Fe-B phase diagram passing through Pr_2 Fe_(14)B point have been re-discussed and modified.

PHASE DIAGRAM OF Nd-Fe-B TERNARY SYSTEM——I.Isothermal Section at Room Temperature

The microstructures of both as-cast and homogenized Nd-Fe-B ternary alloys have been studied. The stable phase regions existing in Nd-Fe-B ternary system at room temperature have been established by the microzone composition analysis and the phase identification. Based on the obtained results, an isothermal section of Nd-Fe-B ternary system at room temperature was drawn.

Room Temperature Section of Al-In-Sn Ternary Phase Diagram

The X-ray powder diffraction method was used to determine the room temperature section of Al-In-Sn ternary phase diagram.The section consists of 5 single-phase regions,7 two-phase regions and 3 three-phase regions.The structure of In_3Sn phase is known to be tetragonal with a=0.3445 nm,c=0.4436 nm.

Isothermal Section of Phase Diagram of the Ternary System Co-Dy-Pr at 500℃

The isothermal section of the phase diagram of the ternary system Co Dy Pr at 500℃ was investigated by X ray diffraction analysis, optical microscopy, electron microscopy, electron spectrum and electron probe miscroanalysis techniques. The section consists of seventeen single phase regions, twenty eight two phase regions and twelve three phase regions. Three of single phase regions are the solid continuums and three of single phase regions are the wide limit solid solutions. No ternary compound was observed in this system.

INVESTIGATION ON THE PHASE DIAGRAM OF TERNARY SYSTEM LaCl_3-SrCl_2-LiCl

Abstract: The phase diagram of ternary system LaCl3 - SrCl2 - LiCl has been investigated by means of DTA. It was found that there were three fields corresponding to primary crystallization of LaCl3, SrCl2 and LiCl respectively, three univeriant curves related to the secondary crystallization, a ternary eutectic E (46.8% LaCl3, 25.4% SrCl, 30.0% LiCl; 469℃) in the system. A ternary reaction occurred in the system:L = LaCl3 + SrCl2 + LiCl

Investigation on the Phase Diagram of Ternary System ErCl_3-CaCl_2-LiCl

The phase diagram of ternary system ErCl_3-CaCl_2-LiCl has been investigated by means of DTA. It was found that there are four fields corresponding to the primary crystallization of ErCl_3,CaCl_2, LiCl and Li_3ErCl_6 respectively, five univariant curves related to the secondary crystallization, a ternary eutectic E(58. 5% ErCl_3, 23. 7% CaCl_2, 17. 8%LiCl, 397 ℃) and a ternary peritectic point P(52. 5% ErCl_3, 27. 2% CaCl_2, 20. 3% LiCl, 428 ℃) in the phase diagram. Two ternary reactions occur in the system: L =ErCl_3 + Li_3ErCl_6 +CaCl_2; L+LiCl=Li_3ErCl_6 +CaCl_2.

Phase Diagram of Ternary System ErCl_3-CaCl_2-MgCl_2

The phase diagram of ternary system ErCl_3-CaCl_2-MgCl_2 has been investigated be means of differentialthermal analysis (DTA). It was found that there were three surfaces corresponding to the primary crystalliza-tion of ErCl_3, CaCl_2 and MgCl_2 respectively, three univariant curves related to the a seondary crystallizationand a ternary eutectic point E (67. 8 wt% ErCl_3, 17. 2 wt% CaCl_2, 15. 0 wt% MgCl_2. 524°C ) in the systemErCl_3-CaCl_2-MgCl_2.

The Room Temperature Section of the Phase Diagram of Co-Ge-Sn Ternary System

The room temperature section of the phase diagram of Co-Ge-Sn ternary system has been determined by means of X-ray powder diffraction method.The section determined consists of 12 single-phases,22 two-phase regions,and 11 three-phase re- gions.Two new phases,called δ and η respectively in this paper,have been found.The former is a binary phase with invariable composition(80.46at%Sn)corresponding to formula CoSn_4,and the latter is a ternary phase occuping a homogenous range.The experimental data also show that Co_2Ge phase has a smaller region than that in Ref.1,2,while β-Sn,Ge,CoSn,CoSn_2 and Co_2Ge_3 are phases with invariable compositions.

Partial phase diagram of Au-Ag-Dy ternary system

On the basis of Au-Ag, Au-Dy and Ag-Dy binary phase diagrams, the 700℃ isothermal section of Au-Ag-Dy ternary system（Dy≤35%, mole fraction） was established by X-ray diffraction analysis, differential thermal analysis and optical microscopy. It is found that there is a long single-phase region, Au（Ag） or Ag（Au）, along the Au-Ag binary isomorphous system on the gold-silver-rich side of the 700℃ isothermal section and between the binary compound Au2Dy and Ag2Dy there is the all proportional solid solution, （Au2Dy） or （Ag2Dy）. It is confirmed that the partial 700℃ isothermal section consists of six single-phase regions: solid solution Au（Ag） or Ag（Au）, （Au2Dy） or （Ag2Dy）, Au6Dy, Au51Dy14, Au3Dy and Ag51Dy14; nine binary-phase regions: （Au2Dy）+Au（Ag）, Au6Dy+Au（Ag）, Au（Ag）+Ag51Dy14, Ag51Dy14+（Au2Dy）, Au3Dy+（Au2Dy）, Au3Dy+Au51Dy14, Au51Dy14+Au6Dy, Au51Dy14+Au（Ag） and Au（Ag）+Au3Dy;four ternary regions: Ag51Dy14+（Au2Dy）+Au（Ag）, （Au2Dy）+Au（Ag）+Au3Dy, Au（Ag）+Au3Dy+Au51Dy14 and Au51Dy14+Au（Ag）+Au6Dy. No new ternary compound is formed in the gold-silver-rich field（Dy≤35%） of the Au-Ag-Dy ternary system.

STUDY ON THE STABILITY OF T'PHASE IN THE Al-Zn-Cu TERNARY SYSTEM

The phase constitutes and phase compositions in the eight alloys designed with dif-ferent compositions of Al--Zn--Cu system have been determined after the homogenous treatment and then equilibrium cooling to 20℃by use of optical microscope,electron probe microanalysis and X--ray diffraction.It has been found that there existed the T'phase in the seven alloys.Consequently,it was testified that the T'phase was stable at room temperature.At the same time,the phase relationship was not locally right for the isothermal section of 20℃of Al--Zn--Cu system of the ASM published in 1997.

Phase equilibria of Zn-Al-Ti ternary system at 450 and 600℃

The phase relationships in the Zn-Al-Ti system at 450 and 600℃ were experimentally determined using equilibrated alloys method.The specimens were investigated by means of scanning electron microscopy coupled with energy dispersive spectroscopy and X-ray diffractometry.Eleven and eight three-phase regions are confirmed in the 450 and 600℃ isothermal sections,respectively.The Ti2Al5 which only exists at high temperature(990-1199.4℃)in Ti-Al binary system is confirmed in two isothermal sections due to the dissolution of zinc.The T phase is confirmed as a ternary compound rather than an extension phase of TiZn3 at 450℃.The T2 phase is a new ternary phase stable at 450 and 600℃ in Zn-Al-Ti ternary system.

PHASE EQUILIBRIUM FOR THE TERNARY SYSTEM VINYL CHLORIDE-CHLORINATED POLYETHYLENE-POLY(VINYL CHLORIDE)

Swelling capacity of vinyl chloride (VC) in chlorinated polyethylene (CPE) with 25—40 wt% Cl at temperature 30—57℃ was studied and their relationships were correlated with Langmuir and Freundlich adsorption equations. A ternary phase diagram for VC-CPE-PVC was also established. In-situ polymerization conditions of CPE-g-VC were proposed and CPE content control was analyzed for the manufacturing process of CPE-g-VC graft product based on results of phase equilibrium study.