Alternative transportation fuels, preferably from renewable sources, include alcohols with up
to five or even more carbon atoms. They are considered promising because they can be …

Aromatic hydrocarbons are important components of petroleum-based transportation fuels,
biomass, coal, and solid waste, etc. The reaction kinetics of aromatic hydrocarbons largely …

This paper discusses a brief history of chemical kinetic modeling, with some emphasis on
the development of chemical kinetic mechanisms describing fuel oxidation. At high …

OpenSMOKE++ is a general framework for numerical simulations of reacting systems with
detailed kinetic mechanisms, including thousands of chemical species and reactions. The …

Chemical processes can be described by detailed kinetic reaction mechanisms consisting of
several hundreds or even thousands of reaction steps. Such reaction mechanisms are used …

Abstract Methane (CH4) is inexpensive, high in heating value, relatively low in carbon
footprint compared to coal, and thus a promising energy resource. However, the locations of …

For long-term storage, part of the excess renewable energy can be stored into various fuels,
among which ammonia and hydrogen show a high potential. To improve the power-to-fuel …

The comprehensive description of the thermal degradation and combustion of biomass
materials is a very challenging problem, as its complexity occurs at several levels:(1) multi …

When it comes to handling large hydrocarbon molecules and describing the pyrolysis and
combustion behavior of complex mixtures, the potential and limitations of detailed chemistry …

In this work, we applied and analyzed a new computational code, called laminarSMOKE, for
the numerical simulation of laminar flames in complex, multidimensional geometries with …