Enrichment at vapour–liquid interfaces of mixtures: Establishing a link between nanoscopic and macroscopic properties

S Stephan, H Hasse - International Reviews in Physical Chemistry, 2020 - Taylor & Francis
Component density profiles at vapour–liquid interfaces of mixtures can exhibit a non-
monotonic behaviour with a maximum that can be many times larger than the densities in …

On the transition between two-phase and single-phase interface dynamics in multicomponent fluids at supercritical pressures

RN Dahms, JC Oefelein - Physics of Fluids, 2013 - pubs.aip.org
A theory that explains the operating pressures where liquid injection processes transition
from exhibiting classical two-phase spray atomization phenomena to single-phase diffusion …

Modeling soft interface dominated systems: A comparison of phase field and Gibbs dividing surface models

A Lamorgese, R Mauri, LMC Sagis - Physics Reports, 2017 - Elsevier
The two main continuum frameworks used for modeling the dynamics of soft multiphase
systems are the Gibbs dividing surface model, and the diffuse interface model. In the former …

Understanding high-pressure gas-liquid interface phenomena in diesel engines

RN Dahms, J Manin, LM Pickett, JC Oefelein - Proceedings of the …, 2013 - Elsevier
Injection of liquid fuel (or oxidizer in the case of liquid rockets) in systems where the working
fluid exceeds the thermodynamic critical condition of the liquid phase is not well understood …

Vapor− liquid interface of the lennard-jones truncated and shifted fluid: comparison of molecular simulation, density gradient theory, and density functional theory

S Stephan, J Liu, K Langenbach… - The Journal of …, 2018 - ACS Publications
The vapor–liquid interface of the Lennard-Jones truncated and shifted (LJTS) fluid with a
cutoff radius of 2.5 σ is investigated for temperatures covering the range between the triple …

Interfacial tension measurements and modelling of (carbon dioxide+ n-alkane) and (carbon dioxide+ water) binary mixtures at elevated pressures and temperatures

A Georgiadis, F Llovell, A Bismarck, FJ Blas… - The Journal of …, 2010 - Elsevier
Supercritical carbon dioxide (CO2) is often used as a process fluid for enhanced oil
recovery. The storage of carbon dioxide in underground formations is a potential way of …

Interfacial properties of binary mixtures of simple fluids and their relation to the phase diagram

S Stephan, H Hasse - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
Interfacial properties of binary fluid mixtures were studied using both molecular dynamics
(MD) simulations and density gradient theory (DGT). The focus of the study is on the relation …

Interfacial properties of binary Lennard-Jones mixtures by molecular simulation and density gradient theory

S Stephan, K Langenbach, H Hasse - The Journal of Chemical Physics, 2019 - pubs.aip.org
A systematic study of interfacial properties of binary mixtures of simple fluids was carried out
by molecular dynamics (MD) simulation and density gradient theory (DGT). The fluids are …

Two-phase fluid simulation using a diffuse interface model with Peng--Robinson equation of state

Z Qiao, S Sun - SIAM Journal on Scientific Computing, 2014 - SIAM
In this paper, two-phase fluid systems are simulated using a diffusive interface model with
the Peng--Robinson equation of state (EOS), a widely used realistic EOS for hydrocarbon …

Non-equilibrium gas–liquid interface dynamics in high-pressure liquid injection systems

RN Dahms, JC Oefelein - Proceedings of the Combustion Institute, 2015 - Elsevier
The transition of classical spray atomization processes to single-phase continuous dense-
fluid mixing dynamics with diminished surface tension forces is poorly understood. Recently …