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We investigate interfacial fluid dynamics and heat transfer at nanoscales using an improved diffuse interface approach for liquid-vapor interfaces in non-equilibrium. Conventional Navier-Stokes-Korteweg (NSK) formulations often fail to…
Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…
Previous works for a liquid suddenly contacting a gas at a supercritical pressure show the coexistence of both phases and the generation of diffusion layers on both sides of the liquid-gas interface due to thermodynamic phase equilibrium. A…
A previously developed modeling procedure for large eddy simulations (LESs) is extended to allow physical space implementations for inhomogeneous flows. The method is inspired by the well-established theoretical analyses and numerical…
We study and predict the interfacial tension, solubility parameters and Flory-Huggins parameters of binary mixtures as functions of pressure and temperature, using multiscale numerical simulation. A mesoscopic approach is proposed for…
The present work reports on LES of turbulent reacting flow of the Delft-Jet-in-Hot-Coflow (DJHC) burner, emulating MILD combustion, with transported PDF based combustion models using ANSYS FLUENT 13.0. Two different eddy viscosity models…
Three-dimensional CP-DNS of reacting iron particle dust clouds in a turbulent mixing layer are conducted. The simulation approach considers the Eulerian transport equations for the reacting gas phase and resolves all scales of turbulence,…
Accurate characterization of heat transport across solid-liquid interfaces is essential for thermal management in micro and nanoscale systems. Yet existing techniques often require prior knowledge of liquid properties, which complicates the…
A new formulation of the immersed boundary method, which facilitates accurate simulation of incompressible isothermal and natural convection flows around immersed bodies and which may be applied for accurate linear stability analysis of the…
Models for finite-rate-chemistry in underresolved flows still pose one of the main challenges for predictive simulations of complex configurations. The problem gets even more challenging if turbulence is involved. This work advances the…
One of the most important and difficult parts of constructing a multidimensional numerical simulation of flame acceleration and deflagration-to-detonation transition (DDT) in a reacting flow is finding a reliable and affordable model of the…
We present a quantitative comparison between the high-pressure fuel spray images obtained experimentally using classical imaging with coherent and incoherent ultrafast illuminations recorded using a compatible CMOS camera. The ultrafast,…
Ultra-lean premixed hydrogen combustion is a possible solution to decarbonize industry, while limiting flame temperatures and thus nitrous oxide emissions. These lean hydrogen/air flames experience strong preferential diffusion effects,…
We propose and analyze a one-dimensional multi-species cross-diffusion system with non-zero-flux boundary conditions on a moving domain, motivated by the mod- eling of a Physical Vapor Deposition process. Using the boundedness by entropy…
We provide a mathematical analysis of a thermo-diffusive combustion model of lean spray flames, for which we prove the existence of travelling waves. In the high activation energy singular limit we show the existence of two distinct…
The multiscale nature of turbulent combustion necessitates accurate and computationally efficient methods for direct numerical simulations (DNS). The field has long been dominated by high-order finite differences, which lack the flexibility…
A crucial factor in the stability of high-pressure rocket-scale combustors is the temperature at which fuel is injected. This study investigates its effect on the stability of supercritical liquid oxygen (LOx)-methane combustion and…
Thermodynamic integration (TI) offers a rigorous method for estimating free-energy differences by integrating over a sequence of interpolating conformational ensembles. However, TI calculations are computationally expensive and typically…
The effects of nanosecond pulsed non-equilibrium plasma discharges on ignition characteristics and low-temperature chemistry or LTC of DME/O2/Ar mixtures are numerically investigated in a plane-to-plane geometry at a reduced pressure of 76…
Flash-boiling injection is one of the most effective ways to accomplish improved atomization compared to the high-pressure injection strategy. The tiny droplets formed via flash-boiling lead to fast fuel-air mixing and can subsequently…