We simulate the diffusion-driven dissolution or growth of a single-component liquid drop embedded in a continuous phase of a binary liquid. Our theoretical approach follows a diffuse-interface model of partially miscible ternary liquid mixtures that incorporates the non-random, two-liquid (NRTL) equation as a submodel for the enthalpic (so-called excess) component of the Gibbs energy of mixing,...

The equilibrium structures of ternary oil/water/surfactant systems are often represented within a triangular composition diagram with various regions of the triangle corresponding to different equilibrium states. We transplant this idea to ternary liquid/fluid/particle systems that are far from equilibrium. Liquid/liquid/particle mixtures or liquid/gas/particle mixtures yield a wide diversity o...

Theoretical predictions using a modified radical species ternary diagram for C–H–O system indicate that addition of sulfur expands the C–H–O gas phase compositional window for diamond deposition. Sulfur addition to no-growth domain increases the carbon super-saturation by binding the oxygen and the addition of sulfur to the non-diamond domain reduces the heavy carbon super-saturation by decreas...

We have used density functional theory (DFT) to investigate the ternary phase diagram of the Li-Fe-F system and the reactions of Li with iron fluorides. Several novel compounds, not previously identified in the Li-Fe-F system, are predicted to be stable. Electrochemical voltage profiles, derived from the evolution of the Li chemical potential in the calculated phase diagram, are in reasonable a...

We study the dependence of the phase behavior of ternary amphiphilic systems on composition and temperature. Our analysis is based on a curvature elastic model of the amphiphile film with sufficiently large spontaneous curvature c0 and sufficiently negative saddle-splay modulus κ̄ that the stable phases are the lamellar phase and a droplet microemulsion. In addition to the curvature energy, we c...

We present adaptive finite element simulations of dendritic and eutectic solidification in binary and ternary alloys. The computations are based on a recently formulated phase-field model that is especially appropriate for modelling non-isothermal solidification in multicomponent multiphase systems. In this approach, a set of governing equations for the phase-field variables, for the concentrat...

An investigation of the constitution of the mercury-tin system was made by a combination of three techniques: differential thermal analysis; diffusion and chemical analysis; and X-ray diffraction. The mercury-silver-tin system is of interest because it is the basis of dental amalgam, the most important single dental restorative material. Information as to the constitution of these alloys is inc...

For canonical lipid raft mixtures of cholesterol (chol), N-palmitoylsphingomyelin (PSM), and 1-palmitoyl-2-oleoylphosphatidylcholine (POPC), electron paramagnetic resonance (EPR) of spin-labeled phospholipids--which is insensitive to domain size--is used to determine the ternary phase diagram at 23°C. No phase boundaries are found for binary POPC/chol mixtures, nor for ternary mixtures with PSM...

  Objective(s): The objective of this study was to design a topical microemulsion of Vit B12 and to study the correlation between internal structure and physicochemical properties of the microemulsions. Microemulsions are thermodynamically stable mixtures of water, oil, surfactants and usually cosurfactants with several advantages for topical and transdermal drug delivery. The formul...

Abstact We present first-principles calculations of the solid-state portion of the Cu-Li phase diagram based on the cluster expansion formalism coupled with the use of (i) bond length-dependent transferable force constants and lattice dynamics calculations to model of vibrational disorder and (ii) lattice gas Monte Carlo simulations to model configurational disorder. These calculations help set...