Related papers: Mathematical Model of a Direct Methanol Fuel Cell
\textit{This study focuses on combustion and evaporation of an isolated freely deforming fuel droplet under convective flow. The droplet shape is modified by varying Weber number at moderate Reynolds numbers. A simplified chemical reaction…
An accurate modelling of bio-electrochemical processes that govern Microbial Fuel Cells (MFCs) and mapping their behaviour according to several parameters will enhance the development of MFC technology and enable their successful…
The mechanisms of direct detonation initiation (DDI) in methane/air mixtures containing coal particles are investigated through simulations conducted using the Eulerian-Lagrangian method in a two-dimensional configuration. Methane-air…
Hydrogen fuel cells are a key technology in the transition toward carbon-neutral energy systems, offering clean power with water as the only byproduct. Microfluidic fuel cells, which operate at the microliter scale, are an emerging variant…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and principal thermodynamic properties of a model solution consisting of NaCl salt dissolved in methanol solvent. Four united atom force fields…
Correlating the microstructure of an energy conversion device to its performance is often a complex exercise, notably in solid oxide fuel cell (SOFC) research. SOFCs combine multiple materials and interfaces that evolve in time due to high…
Analytical model for impedance of oxygen transport in the gas--diffusion layer (GDL) and cathode channel of a PEM fuel cell is developed. The model is based on transient oxygen mass conservation equations coupled to the proton current…
The collisional excitation of methanol molecule in non-dissociative magnetohydrodynamic shock waves is considered. All essential chemical processes that determine methanol abundance in the gas are taken into account in the shock model. The…
The present paper reports on the assessment of different turbulence-chemistry interaction closures for modeling turbulent combustion in the Moderate and Intense Low oxygen Dilution combustion regime. 2D RANS simulations have been carried…
The dehydrogenation behaviour of a cylindrical Mg metal hydride tank is simulated and examined in the case where the tank is thermally coupled with an operating Solid Oxide Fuel Cell (SOFC) at 7000C. A three-dimensional validated…
In this paper we report results of a numerical investigation of turbulent natural gas combustion for jet in a coflow of lean combustion products in the Delft-Jet-in-Hot-Coflow (DJHC) burner which emulates MILD (Moderate and Intense Low…
We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…
We characterize the molecular environment of candidate massive young stellar objects (MYSOs) signposted by methanol masers. Single pixel observations of 10 transitions of HCO^+, CO and CS isotopomers were carried out, using the IRAM 30m…
A mesoscopic multi-particle collision model for fluid dynamics is generalized to incorporate the chemical reactions among species that may diffuse at different rates. This generalization provides a means to simulate reaction-diffusion…
Methanol is formed via surface reactions on icy dust grains. Methanol is also detected in the gas-phase at temperatures below its thermal desorption temperature and at levels higher than can be explained by pure gas-phase chemistry. The…
The prediction of auto-ignition delay times in HCCI engines has risen interest on detailed chemical models. This paper described a validated kinetic mechanism for the oxidation of a model Diesel fuel (n-decane and α-methylnaphthalene).…
Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-atom type. They were developed in preceding work using…
We here present an innovative technique to handle the problem of deriving physical parameters from observed multi-line spectra of methanol, based on the simultaneous fit of all the lines with a synthetic spectrum computed under the Large…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
A high-pressure hydrogen micromix combustor has been investigated using direct numerical simulation with detailed chemistry to examine the flame structure and stabilisation mechanism. The configuration of the combustor was based on the…