Related papers: Mathematical Model of a Direct Methanol Fuel Cell
The last years saw a renewal of interest for hypersonic research in general and regenerative cooling specifically, with a large increase of the number of dedicated facilities and technical studies. In order to quantify the heat transfer in…
A new premixed turbulent combustion model is proposed. It is based on one-dimensional (1D) filtering of density times progress variable and of the reaction source term of laminar premixed flame profiles using a filter kernel which reflects…
In this paper, we address the problem of online parameter estimation of a Proton Exchange Membrane Fuel Cell (PEMFC) polarization curve, that is the static relation between the voltage and the current of the PEMFC. The task of designing…
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement…
Peculiarities of interparticle interactions between methanol molecules in the methanol vapor are investigated. The bare potential is considered as a sum of repulsive, dispersive and electrostatic forces. It is supposed that H-bond is of…
Combustion in automotive and aerospace applications employing diesel, gas turbine and liquid rocket engines is preceded by injection and mixing of fuel and oxidizer at high pressures, often exceeding mixture critical values. Experimental…
Aims: The gas-phase abundance of methanol in dark quiescent cores in the interstellar medium cannot be explained by gas-phase chemistry. In fact, the only possible synthesis of this species appears to be production on the surfaces of dust…
This computational study introduces a theoretical framework for practical, electrochemical fuel generation displaying exponential product yields as functions of time. Exponential reaction scaling is simulated through an autocatalytic cycle…
Proton exchange membrane fuel cells (PEMFCs) are a promising clean energy technology, offering high efficiency and near-zero operational emissions for stationery and automotive applications. However, their widespread adoption remains…
We calculated reaction rate constants including atom tunneling for the hydrogen abstraction reaction CH3OH+H -> CH2OH+H2 with the instanton method. The potential energy was fitted by a neural network, that was trained to…
This work describes a new 1D hybrid approach for modeling atmospheric pressure discharges featuring complex chemistry. In this approach electrons are described fully kinetically using Particle-In-Cell/Monte-Carlo (PIC/MCC) scheme, whereas…
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous…
The one-dimensional (1D) problem on bilatiral irradiation by proton beams of the plane layer of condensed DT mixture with length $2H$ and density $\rho_0 \leqslant 100\rho_s$, where $\rho_s$ is the fuel solid-state density at atmospheric…
The large number of possible structures of metal-organic frameworks (MOFs) and their limitless potential applications has motivated molecular modelers and researchers to develop methods and models to efficiently assess MOF performance. Some…
Deuterium enrichment of interstellar methanol is reproduced experimentally for the first time via grain-surface H-D substitution in solid methanol at an atomic D/H ratio of 0.1. Although previous gas-grain models successfully reproduce the…
The aim of the presented work is to analyze the impact of experimentally evaluated reactions of hydrogen abstraction on surfaces of interstellar grains on the chemical evolution of methanol and its precursors on grains and in the gas phase…
We present 247-GHz molecular line observations of methanol (CH$_3$OH) toward sixteen massive star-forming regions, using the APEX telescope with an angular resolution of $25''$. The sample covers a range of evolutionary states, including…
Understanding the mechanisms of explosions is important for minimizing devastating hazards. Due to the complexity of real chemistry, a single-step reaction mechanism is usually used for theoretical and numerical studies. The purpose of this…
Methanol is an amphiphilic solute whose aqueous solutions exhibit distinctive physical properties. The volume change upon mixing, for example, is negative across the entire composition range, indicating strong association. We explore the…
Methanol (CH3OH) is thought to form on interstellar ice dust via successive hydrogenation reactions. The reaction between CH3 and OH radicals could also conceivably generate methanol at temperatures above approximately 20 K, at which…