相关论文: Experimental and Theoretical Bulk Phase Diagram an…
We study the phase behavior of solutions consisting of positive and negative ions of valence z to which a third ionic species of valence Z>z is added. Using a discretized Debye-Hueckel theory, we analyze the phase behavior of such systems…
New experiments for water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed…
Liquid-gas phase coexistence in a boundary-driven diffusive system is studied by analyzing fluctuating hydrodynamics of a density field defined on a one-dimensional lattice with a space interval $\Lambda$. When an interface width $\ell$ is…
We investigate the phase diagram of a two-component associating fluid mixture in the presence of selectively adsorbing substrates. The mixture is characterized by a bulk phase diagram which displays peculiar features such as closed loops of…
We extend the Cahn-Landau-de Gennes mean field theory of binary mixtures to understand the wetting thermodynamics of a three phase system, that is in contact with an external surface which prefers one of the phases. We model the system…
We have experimentally investigated mixing in highly confined turbulent fountains, namely quasi-two-dimensional fountains. Fountains are formed when the momentum of the jet fluid is in the opposite direction to its buoyancy force. This work…
We employ a molecular model to study a ternary mixture of saturated lipid, with tails of sixteen carbons, a mono unsaturated lipid with tails of eighteen carbons, and cholesterol. The model, solved within mean-field theory, produces several…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
We present a phenomenological theory for the phase behavior of ternary mixtures of cholesterol and saturated and unsaturated lipids, one which describes both liquid and gel phases, and illuminates the mechanism of the behavior. In a binary…
Phase separation and transitions among different molecular states are ubiquitous in living cells. Such transitions can be governed by local equilibrium thermodynamics or by active processes controlled by biological fuel. It remains largely…
The influence of short-range interactions between a multi-phase, multi-component mixture and a solid wall in confined geometries is crucial in life sciences and engineering. In this work, we extend the Cahn-Hilliard model with dynamic…
We explore the dependence of a wide set of properties of monohydric alcohols on temperature by using the isobaric-isothermal molecular dynamics computer simulations. Namely, methanol (MeOH), ethanol (EtOH) and 1-propanol (PrOH) alcohols are…
Chemically driven fluids can demix to form condensed droplets that exhibit phase behaviors not observed at equilibrium. In particular, nonequilibrium interfacial properties can emerge when the chemical reactions are driven differentially…
Alcohols and aldehydes represent two key classes of interstellar complex organic molecules (COMs). This work seeks to better understand their possible chemical connections, with a focus on such molecules in the sources of the star-forming…
We use simulation-based supervised machine learning and classical density functional theory to investigate bulk and interfacial phenomena associated with phase coexistence in binary mixtures. For a prototypical symmetrical Lennard-Jones…
The phase diagram of a lattice microemulsion model proposed by Ciach, H{\o}ye and Stell is studied using mean-field theory and Monte Carlo simulations. Surfactant directional degrees of freedom are summed out exactly before mean-field…
Ethanol-water mixtures are a classic example of thermodynamic non-ideality, yet the structural origin of their pronounced anomalies, such as volume contraction and a large negative excess entropy, has remained a long-standing puzzle. Here,…
A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction solute/solvent is controlled by tuning the energy…
The stability of a ternary system composed of decane/water/Aerosol-OT and salt is revisited. Phase diagrams and emulsions similar in composition to those previously studied by Hofman and Stein [Hofman, 1991] were made. Ac- cording to our…
A lattice Boltzmann scheme able to model the hydrodynamics of phase separation and two-phase flow is described. Thermodynamic consistency is ensured by introducing a non-ideal pressure tensor directly into the collision operator. We also…