Related papers: Mathematical Model of a Direct Methanol Fuel Cell
In this work, analytical solutions were derived (for any methanol oxidation reaction order) for the profiles of methanol concentration and proton current density by assuming diffusion mass transport mechanism, Tafel kinetics, and fast…
An adaptive operation strategy for on-demand control of active direct methanol fuel cells (DMFCs) is proposed as an alternative method to enhance the voltage stability. A simplified semi-empirical model is firstly developed to describe I-V…
We present a macrohomogeneous two-phase model of a proton exchange membrane fuel cell (PEMFC). The model takes into account the mechanical compression of the gas diffusion layer (GDL), the two-phase flow of water, the transport of the gas…
We present a density-functional theory based molecular-dynamics study of the structural, dynamical, and electronic properties of liquid methanol under ambient conditions. The calculated radial distribution functions involving the oxygen and…
In this paper is calculated and analyzed the dielectric behavior of carbon dioxide - methanol mixture and evaluate how the correct reproduction of the electrical properties of this molecules influences in the mixture of these two…
Combustion modes in locally stratified dual-fuel (DF) mixtures are numerically investigated for methanol n-dodecane blends under engine-relevant pressures. In the studied constant-volume numerical setup, methanol acts as a background…
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…
Microfluidic fuel cells (MFCs) are microfluidic electrochemical conversion devices that are used to power small pieces of electrical equipment. Their performance relies on the improvement of the mass transfer of the reactants at the…
A quasi-one-dimensional analytic model is proposed for the internal fluid of rotating detonation combustors (RDCs). This model uses the shock-tube model that constrains the flow to have only a longitudinal component, while admitting the…
Direct carbon fuel cells (DCFCs) are highly efficient power generators fueled by abundant and cheap solid carbons. However, the limited formation of triple phase boundaries (TPBs) within fuel electrodes inhibits their performance even at…
The thermodynamic and kinetic aspects of the methanolysis and hydrolysis reactions of glycerol triacetate or triacetin, a model triacylglycerol compound, were investigated by using Density Functional Theory (DFT) at the B3LYP/6-31++G(d,p)…
A one-dimensional and stationary reactor model is presented to describe the catalytic conversion of a gaseous hydrocarbon fuel with air and steam to synthesis gas by autothermal reforming (ATR) and catalytic partial oxidation (CPO). The…
In this paper, a nonlinear six order model is proposed for a proton exchange membrane fuel cell (PEMFC) as a control-oriented electrochemical model. Its validation is performed on a specific single cell PEMFC with effective dimension of 5…
Five parameters of a model of a polymer electrolyte membrane fuel cell cathode (the porosity of the gas diffusion layer, the porosity of the catalyst layer, the exchange current density of the oxygen reduction reaction, the effective ionic…
Aims. We aim to improve a previous model for the prediction of column densities and deuterium fractions of non- and singly deuterated methanol. Thereby, we try to identify crucial chemical and physical parameters, for which the study of…
The adsorption energies and orientation of methanol on graphene are determined from first-principles density functional calculations. We employ the well-tested vdW-DF method that seamlessly includes dispersion interactions with all of the…
A molten carbonate fuel cell (MCFC) is an electro-chemical energy conversion technology that runs on natural gas and employs a molten salt electrolyte. In order to keep the electrolyte in this state, the cell must be kept at a temperature…
In this study some properties of the methanol-water mixture such as diffusivity, density, viscosity, and hydrogen bonding were calculated at different temperatures and atmospheric pressure using molecular dynamics simulations (MDS). The…
A local-sensitivity-analysis technique is employed to generate new skeletal reaction models for methane combustion from the foundational fuel chemistry model (FFCM-1). The sensitivities of the thermo-chemical variables with respect to the…
A one-dimensional, dynamic, two-phase, isothermal model of proton exchange membrane fuel cell systems using a finite-difference approach has been developed. This model balances the simplicity of lumped-parameter models with the detailed…