Related papers: Mathematical Model of a Direct Methanol Fuel Cell
Numerical modeling of proton exchange membrane fuel cells is at the verge of becoming predictive. A crucial requisite for this, though, is that material properties of the membrane-electrode assembly and their functional dependence on the…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
Moderate or intense low-oxygen dilution (MILD) combustion is achieved by strongly diluting and preheating the reactants through mixing with hot combustion products before ignition. To better understand how fuel/air/product mixing and…
We study the mathematical evolution of a liquid fuel droplet inside a vessel. In particular, we analyze the evolution of the droplet radius on a finite time interval. The model problem involves an hyperbolic system coupled with the pressure…
The need for improved engine efficiencies has motivated the development of high-pressure combustion systems, in which operating conditions achieve and exceed critical conditions. Associated with these conditions are large thermodynamic…
In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute…
The development of ammonia-methane (NH3-CH4) combustion as a hydrogen-carrier energy source faces major challenges such as significant NOx emissions, hindering its practical implementation. This paper examines how ethanol (C2H6O) and…
This study presents the first Direct Numerical Simulation (DNS) of hydrogen combustion in a real-size internal combustion engine, investigating the complex dynamics of ignition, flame propagation, and flame-wall interaction under…
The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…
Experimental observations of thermionic electron emission demonstrate a smooth transition between TL and FSCL regions of the emitted-current-density-versus-temperature (J-T) (Miram) curve and the emitted-current-density-versus-voltage (J-V)…
Kinetic Monte-Carlo simulation is applied to study the partial oxidation of methane over a nickel catalyst. Based on the Langmuir-Hinshelwood mechanism, the kinetic behavior of this reaction is analyzed and the results are compared with…
Reactivity Controlled Compression Ignition (RCCI) is a new advanced engine concept that uses a dual fuel mode of operation to achieve significant improvements in fuel economy and emissions output. The fuels that are typically used in this…
Using path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD) simulation methods, we compute a coherent equation of state (EOS) of nitrogen that spans the liquid, warm dense matter (WDM), and plasma regimes.…
In this paper we develop a direct simulation Monte Carlo (DSMC) method for simulating highly nonequilibrium dynamics of nearly degenerate ultra-cold gases. We show that our method can simulate the high-energy collision of two thermal clouds…
Modern diesel engines temporarily use a very late post-injection in the combustion cycle to either generate heat for a diesel particulate filter regeneration or purge a lean NOx trap. In some configurations, unburned fuel is left at the…
Fluid, heat and species transport and oxygen reduction in the cathode of a PEM fuel cell are simulated using multi relaxation lattice Boltzmann method. Heat generation due to oxygen reduction and its effects on transport and reaction are…
This work presents a fully coupled combustor turbine simulation framework applied to the MYTHOS aeroengine, developed within the Horizon Europe project MYTHOS, aimed at assessing the impact of Sustainable Aviation Fuels (SAFs) and hydrogen…
A general physics-based model is developed for heterogeneous electrocatalysis in porous electrodes and used to predict and interpret the impedance of solid oxide fuel cells. This model describes the coupled processes of oxygen gas…
Cold cores are an early step of star formation, characterized by densities > 10$^4$ cm$^{-3}$, low temperatures (< 15 K), and very low external UV radiation. We investigate the physico-chemical processes at play to tracing the origin of…
Streamer discharges can be used as a primary source of reactive species for plasma-assisted combustion. In this research we investigate positive streamers in a stoichiometric air-methane mixture at 1 bar and 300 K with a three-dimensional…