相关论文: Modeling of the anode side of a direct methanol fu…
A one dimensional (1-D), isothermal model for a direct methanol fuel cell (DMFC) is presented. This model accounts for the kinetics of the multi-step methanol oxidation reaction at the anode. Diffusion and crossover of methanol are modeled…
Hydrogen transport in the anode of a proton-exchange membrane fuel cell (PEMFC) has been studied with a modulation technique relating the hydrogen flow-rate $(\tilde{Q}_{H2})$ and the faradaic current $(\tilde{I})$, called…
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…
An extremely efficient ethanol fuel cell electrode is produced by combining the large surface area of vertically oriented and highly conductive few-layer graphene sheets with electrochemically deposited palladium nanoparticles. The…
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…
Methanol occupies a central role in chemical synthesis and is considered an ideal candidate for cleaner fuel storage and transportation. It can be catalyzed from water and volatile organic compounds such as carbon dioxide, thereby offering…
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 the paper a mathematical model of the PEN structure (positive electrode - electrolyte - negative electrode) of the Solid Oxide Fuel Cell (SOFC) is analyzed. It is proved that classical formulation of the problem leads inevitably to…
One pot synthetic technique was used to synthesize mesoporous fullerene using highly ordered mesoporous template such as KIT6-150 and SBA-15-150. Highly ordered porous fullerene with cross linkage between the fullerene molecules was…
Theoretical calculations based on density functional theory have made significant contributions to our understanding of metal oxides, their surfaces, and the binding of molecules at these surfaces. In this paper we investigate the binding…
The proton exchange membrane fuel cell (PEMFC) output relies on the transport behavior within the cathode gas channels. Current designs remain inadequate as they often rely on heuristic modifications of existing layouts or designer…
At low concentrations of methanol in ethanol-methanol binary system, the molecular interactions are seen to be uniquely complex. It is observed that the ethanol aggregates are not strictly hydrogen-bonded complexes; dispersion forces also…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
A two-phase two-component model is formulated for the advective-diffusive transport of methane in liquid phase through sediment with the accompanying formation and dissolution of methane hydrate. This free-boundary problem has a unique…
Chemical models predict that in cold cores gas-phase methanol is expected to be abundant at the outer edge of the CO depletion zone, where CO is actively adsorbed. CO adsorption correlates with volume density in cold cores, and, in nearby…
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…
An ideal proton exchange membrane should only permeate protons and be leak tight for fuels. Graphene is impermeable to water and poorly conducting to protons. Here, we chemically functionalized monolayer graphene to install sulfophenylated…
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…
Effective water management is essential for the optimal performance of PEM fuel cells. We have developed an impedance model for liquid water transport through the membrane and coupled it with the two-phase model for cathode side impedance.…
A model for impedance of a PEM fuel cell cathode catalyst layer under simultaneous application of potential and oxygen concentration perturbations is developed and solved. The resulting expression demonstrates dramatic lowering of the layer…