Critical evaluation and thermodynamic optimization of the Na2O–FeO–Fe2O3–Al2O3–SiO2 system

A critical assessment and thermodynamic optimization of phase diagrams and thermodynamic properties of the entire Na₂O–FeO–Fe₂O₃–Al₂O₃–SiO₂ system were carried out at 1 atm total pressure. A set of optimized model parameters obtained for all phases present in this system reproduces available and reliable thermodynamic property and phase equilibrium data within experimental error limits from 298 K to above liquidus temperatures for all compositions and oxygen partial pressures from metallic Fe saturation to 1 atm. The Gibbs energy of liquid solution was described based on the Modified Quasichemical Model considering the possible formation of NaAlO₂ and NaFeO₂ associates in the liquid state. The solid solutions wüstite, spinel, feldspar, nepheline, carnegieite, mullite, corundum, clino-pyroxene, meta-oxides and Na-β″-alumina were treated within the framework of Compound Energy Formalism. The database of model parameters can be used to calculate any thermodynamic property and phase diagram section of the present system.     

An improved algorithm for the three‐fluid‐phase VLLE flash calculation

The VLLE flash is important in water and hydrocarbons mixtures, hydrocarbon and CO₂ rich mixtures, and hydrocarbon methane rich mixtures that are encountered in reservoir performance and recovery studies. A robust VLLE flash algorithm is proposed. The equilibrium and mass balance equations are solved as a constrained minimization problem. An inverse barrier function is used to handle the inequality constrains to solve for the phase fractions. It warrants always arriving to the solution. The challenging cases analyzed showed that the initialization procedure proposed, together with successive substitution iteration in the outer loop, is a good method for a stable VLLE flash algorithm, even near critical points. Whenever the result is in the region outside the three‐phase physical domain, the solution suggests that the system has fewer phases. In one of the cases analyzed, a region with three liquid phases was encountered and the algorithm found two different solutions with positive phase fractions. © 2015 American Institute of Chemical Engineers AIChE J, 61: 3081–3093, 2015     

Oleogels from Glycerol‐Based Lyotropic Liquid Crystals: Phase Diagrams and Structural Characterization

In the course of our studies on structured reverse lyotropic liquid crystals (LLC) as oleogels, a system was designed with the desired physical and rheology properties for cosmetic and pharmaceutical applications. The aqueous phase was partially replaced by glycerol to minimize bacteriological problems and obtain specific rheology characteristics. The constructed phase diagrams are based on ternary mixtures of glycerol monooleate (GMO), decane, water, and glycerol. The main lyotropic mesophase obtained in this study was reverse hexagonal derived from dilution line 8:2 (72 wt% GMO and 18 wt% decane) and 10 wt% water; or water:glycerol (wt ratios 3:1 and 1:1) mixture. It was found that heat‐cool fluctuation caused formation of new pseudo‐equilibrium structures with mesomorphic transformations to more fluid and less ordered mesostructures. Replacing up to 50 wt% of the water by glycerol significantly increases the gel phase region in the phase diagram, meaning more structural compositional options. The structural parameters were determined using cross‐polarized light microscopy (CPLM), differential scanning calorimeter (DSC), powder X‐ray diffraction (PXRD), and small angle X‐ray scattering (SAXS). Rheological measurements revealed viscoelastic properties of lyotropic liquid crystals with a decrease in the elasticity (G′), plasticity (G″), and complex viscosity (η*), as a function of increasing the glycerol content.     

To a Curator of Beautiful and Healthy Lives: A Note to Myself

How might architectural thinking and processes shift over the next 35 years? How might the architect's role be redefined with shifting ethical values? Could the architect be viewed as less of a design professional and more of a curator engaged in the development of healthy holistic environments, catering for all of society's needs? DaeWha Kang , an architect from 2050, writes to his earlier self, critiquing the work that he undertook in independent practice and as a design director at Zaha Hadid Architects in the mid-2010s. He describes how his design methodologies have evolved in the intervening years.     

Thermodynamics and separation process for quaternary acrylic systems

Vapor‐liquid equilibrium (VLE) and liquid‐liquid equilibrium (LLE) data of binary and ternary acrylic systems were systematically measured. Subsequently, VLLE phase diagrams of binary systems, tridimensional VLE phase diagrams of methyl acrylate (MA)‐methanol (Me)‐H₂O ternary system, and quaternary LLE phase diagrams of MA‐Me‐H₂O‐methyl acetate (MeOAc) system were constructed. These diagrams clearly demonstrated the effects of temperature on phase equilibrium. The experimental data was fitted by the NRTL and UNIQUAC models, and the best‐fitted parameters were used to predict interaction properties of ternary and quaternary mixture. Therefore, the phase equilibrium data were provided as reference for the design of acrylic systems rectification or extraction process. Residue curve was mapped out for MA‐Me‐H₂O system through Aspen plus software. Finally, using thermodynamics and residue curve as theoretical basis, two novel separation processes were proposed and applied to the quaternary acrylic systems. © 2015 American Institute of Chemical Engineers AIChE J, 62: 228–240, 2016     

Pseudo Phase Diagram and Microwave Dielectric Properties of Li2O–MgO–TiO2 Ternary System

Li₂O–MgO–TiO₂ ternary system is an important microwave dielectric ceramic material with excellent properties and prospect in both scientific research and application. A phase diagram of the Li₂O–MgO–TiO₂ ternary system was established in this article, based on earlier research results and our present work. Microwave dielectric properties with compositions in different regions of the phase diagram have been analyzed. We found that the 0.33 Li₂MgTi₃O₈–0.67 Li₂TiO₃ ceramics sintered at 1200°C exhibited excellent dielectric properties: Q × f value = 80 476 GHz (at 7.681 GHz), ε_r = 24.7, τ_f = +3.2 ppm/°C. We also designed two ceramic systems in the Li‐rich region of the Li₂O–MgO–TiO₂ ternary system, which received little attention in the past decades, because many excellent single‐phase ceramics, such as Li₂MgTiO₄, Li₂MgTi₃O₈ and MgTiO₃, have been found in the Ti‐rich region. The ceramic systems have low sintering temperatures but also relatively poor dielectric properties.     

Cyclic properties of dense to very dense silica sand

This paper presents results of a series of cyclic laboratory test performed on dense to very dense silica sand. Triaxial and direct simple shear tests were performed on reconstituted sand. The test program aimed to determine the cyclic shear strength and soil deformation properties for foundation design of offshore wind turbine structures on the Dogger Bank site, offshore United Kingdom, but is also applicable for foundation design of other offshore structures and other locations. Two sand batches were used, one with clean silica sand and one with 20% silt content. Normally consolidated specimens from both batches were reconstituted to a target relative density approximately equal to 100% and 80%. On the clean sand with a target relative density of 80%, tests were also performed on specimens with an overconsolidation ratio of OCR = 4. Various contour diagrams, presenting cyclic shear strength and average and cyclic shear strains for different number of cycles, are presented. These diagrams can be used in the front-end engineering design (FEED) stage of commercial design projects on similar soil conditions, to define soil behavior when limited cyclic data is available, or in the planning stage of a cyclic laboratory test program. Effects of precycling and fines content on the cyclic behavior of triaxial and DSS specimens are discussed.     

Specific heat of the antiferro/ferro-magnet NpGa3

The specific heat of NpGa₃ has been measured for the first time. The magnetic transitions and more generally the full magnetic phase diagram have been re-established precisely. The Sommerfeld coefficient and the magnetic entropy point to a rather localized system, in agreement with previous studies, in particular high pressure Mössbauer and resistivity. The comparison with other NpX₃ suggests that NpGa₃ is the most localized member of the series.     

Experimental investigation and thermodynamic calculation of the phase equilibria in the Fe–Ni–V system

The phase equilibria in the Fe–Ni–V ternary system were investigated by means of electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Three isothermal sections of the Fe–Ni–V ternary system at 1000 °C, 1100 °C and 1200 °C were established. On the basis of the obtained experimental data, the phase equilibria in the Fe–Ni–V system were thermodynamically assessed using (CALculation of PHAse Diagrams) CALPHAD method, and a consistent set of thermodynamic parameters leading to reasonable agreement between the calculated results and experimental data was obtained.     

Thermodynamic modeling of the germanium–manganese system

Based on a careful review of the literature, the Ge–Mn system is modeled using the Calphad method. The liquid is described using an associate model regarding to physicochemical observations. The phases cub_a13, fcc_a1 and bcc_a2 are modeled as substitution solutions using the Redlich–Kister formalism. The Mn₁₁Ge₈, Mn₅Ge₃, LT_Mn₅Ge₂ and LT_Mn₃Ge are treated as stoichiometric compounds and the non-stoichiometry of Mn₃Ge, Mn₅Ge₂ and Mn₂Ge are respectively described as (Mn)_0.75(Ge,Mn)_0.25, (Ge,Mn)_0.714 (Ge,Mn)_0.286 and (Ge,Mn)_0.667 (Ge,Mn)_0.333. The results are in good agreement with the set of experimental data which is carefully selected. Finally, a few experimental data which could be checked are indicated.