Limits on the predictive thermodynamic models, Wilson and UNIQUAC in multicomponent phase equilibria of ethanol-benzene-heptane and hexane-ethanol-benzene

1996 ◽  
pp. 009-022
Author(s):  
İsmet KAN ◽  
Alper ÖZALP ◽  
Ülkü ÖZALP
Keyword(s):  
Phase Equilibria ◽  
Thermodynamic Models

Solid-Fluid Phase Equilibria Measurement for Mixtures of Methane, Carbon-Dioxide and N-Hexadecane

2021 ◽  
Author(s):  
Oluwakemi Victoria Eniolorunda ◽  
Antonin Chapoy ◽  
Rod Burgass
Keyword(s):  
Experimental Data ◽  
Carbon Dioxide ◽  
Equation Of State ◽  
Phase Equilibria ◽  
Activity Coefficients ◽  
Fluid Phase ◽  
Ternary Mixtures ◽  
Binary Interaction ◽  
Thermodynamic Models ◽  
Methane Carbon

Abstract In this study, new experimental data using a reliable approach are reported for solid-fluid phase equilibrium of ternary mixtures of Methane-Carbon-dioxide- n-Hexadecane for 30-73 mol% CO2 and pressures up to 24 MPa. The effect of varying CO2 composition on the overall phase transition of the systems were investigated. Three thermodynamic models were used to predict the liquid phase fugacity, this includes the Peng Robison equation of state (PR-EoS), Soave Redlich-Kwong equation of state (SRK-EoS) and the Cubic plus Association (CPA) equation of state with the classical mixing rule and a group contribution approach for calculating binary interaction parameters in all cases. To describe the wax (solid) phase, three activity coefficient models based on the solid solution theory were investigated: the predictive universal quasichemical activity coefficients (UNIQUAC), Universal quasi-chemical Functional Group activity coefficients (UNIFAC) and the predictive Wilson approach. The solid-fluid equilibria experimental data gathered in this experimental work including those from saturated and under-saturated conditions were used to check the reliability of the various phase equilibria thermodynamic models.

Metamorphic Fluids in Orogenic Settings

Elements ◽  
2020 ◽  
Vol 16 (6) ◽  
pp. 381-387 ◽  
Author(s):  
Katy A. Evans ◽  
Andrew G. Tomkins
Keyword(s):  
Phase Equilibria ◽  
Melting Temperature ◽  
Fluid Inclusions ◽  
Indirect Evidence ◽  
Ore Deposits ◽  
Variable Composition ◽  
Future Research ◽  
Temperature Cycle ◽  
Thermodynamic Models ◽  
Metamorphic Fluids

Metamorphic reactions within the Earth’s crust produce fluids of variable composition that play a major role in the evolution of continents. Metamorphic fluids facilitate reactions that alter crustal rheology, reduce melting temperature, cycle elements between geological reservoirs and form ore deposits. These fluids are relatively inaccessible, other than by study of fluid inclusions, so most studies rely on a combination of indirect evidence and predictive thermodynamic models to determine the characteristics and roles of the fluids. In this article, the origins, compositions, controlling phase equilibria, and roles of metamorphic fluids are reviewed, followed by a discussion of selected areas of current and future research.

Thermodynamic Modeling of Phase Equilibria in the FeO-Al2O3-Cr2O3 and MgO-Al2O3-Cr2O3 Systems

2020 ◽  
Vol 989 ◽  
pp. 204-209 ◽  
Author(s):  
Gennady G. Mikhailov ◽  
L.A. Makrovets ◽  
O.V. Samoilova
Keyword(s):  
Phase Equilibria ◽  
Phase Diagrams ◽  
Thermodynamic Modeling ◽  
Liquidus Surface ◽  
Complex Oxide ◽  
Thermodynamic Models ◽  
Ionic Solutions ◽  
Calculated Phase ◽  
Energy Parameters

Thermodynamic modeling of phase equilibria and further construction of a full projection of the liquidus surface in the FeO–Al2O3–Cr2O3 and MgO–Al2O3–Cr2O3 systems were carried out. Theories of sub-regular ionic solutions, regular ionic solutions and ideal ionic solutions were used for calculation. Values of energy parameters of the used thermodynamic models were obtained in the course of the research. These values might be applicable for further modeling of more complex oxide slag systems which are formed in the process of manufacture of chromic steels. Calculated phase diagrams for the FeO–Al2O3–Cr2O3 and MgO–Al2O3–Cr2O3 systems were compared with available data from literature sources.

Phase equilibria of the Ag–Sn–Cu ternary system

2004 ◽  
Vol 19 (8) ◽  
pp. 2298-2305 ◽  
Author(s):  
Yee-wen Yen ◽  
Sinn-wen Chen
Keyword(s):  
Ternary System ◽  
Phase Equilibria ◽  
Binary Systems ◽  
Stable Phase ◽  
Thermodynamic Models ◽  
Ternary Interaction ◽  
Isothermal Sections ◽  
Stability Diagrams ◽  
Binary Compounds ◽  
Good Agreement

Phase equilibria of the Ag–Sn–Cu ternary system have been determined experimentally as well as using the calculation of phase diagram (CALPHAD) method. Various Ag–Sn–Cu alloys were prepared to study the isothermal sections of the Ag–Sn–Cu ternary system at 240 and 450 °C. No ternary compounds were found and all the binary compounds had only limited ternary solubility. The ∈1–Cu3Sn phase is a very stable phase. It is in equilibrium with the Ag, ζ–Ag4Sn, ∈2–Ag3Sn, η–Cu6Sn5, and Cu phases at 240 °C, and is in equilibrium with the Ag, ζ, ∈2, L, and δ–Cu4Sn phases at 450 °C. Thermodynamic models of the Ag–Sn–Cu ternary system were developed based on available thermodynamic models of the constituent binary systems without introducing ternary interaction parameters. The isothermal sections at 240 and 450 °C were calculated, and the results were in good agreement with those determined experimentally. In addition to the isothermal sections, stability diagrams of Sn and Cu were calculated as well.

Thermodynamics, Phase Equilibria and Martensitic Transformation in Fe-Mn-Si Alloys

1991 ◽  
Vol 246 ◽  
Author(s):  
Annika Forsberg ◽  
John Ågren
Keyword(s):  
Phase Diagram ◽  
Martensitic Transformation ◽  
Thermodynamic Properties ◽  
Phase Equilibria ◽  
Martensitic Transition ◽  
Thermodynamic Models ◽  
Complete Set ◽  
The Individual

AbstractThe thermodynamic properties of the Fe-Mn-Si system are analyzed by means of thermodynamic models for the individual phases. Special attention is paid to γ → ε martensitic transition. A complete set of parameters, from which arbitrary sections of the phase diagram as well as the Ma and As temperatures may be calculated, has been obtained.

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