Combustion chemistry of alkenes and alkadienes
Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present
in transportation fuels in significant amounts, up to as much as 15–20% in gasoline …
in transportation fuels in significant amounts, up to as much as 15–20% in gasoline …
Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software
AG Dana, MS Johnson, JW Allen… - … Journal of Chemical …, 2023 - Wiley Online Library
The open‐source statistical mechanics software described here, Arkane–Automated
Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic …
Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic …
Catalytic co-pyrolysis of LDPE and PET with HZSM-5, H-beta, and HY: experiments and kinetic modelling
In this study, the catalytic pyrolysis of low-density polyethylene (LDPE), polyethylene
terephthalate (PET) and their mixture (1: 1 wt/wt) with three zeolite catalysts (HZSM-5, H …
terephthalate (PET) and their mixture (1: 1 wt/wt) with three zeolite catalysts (HZSM-5, H …
Inception of carbonaceous nanostructures via hydrogen-abstraction phenylacetylene-addition mechanism
Sufficient experimental evidence has suggested that polycyclic aromatic hydrocarbons are
the building blocks of carbonaceous nanostructures in combustion and circumstellar …
the building blocks of carbonaceous nanostructures in combustion and circumstellar …
Allyl-modified epoxy networks that break and reorganize at high temperatures to avoid Tg reduction
J Liu, X Zhang, S Liu, C Lei - Chemical Engineering Journal, 2023 - Elsevier
Epoxy resins often age during high-temperature use, causing a drop in T g and a number of
safety problems. Currently, no specific reports addressing this T g drop are available. Here …
safety problems. Currently, no specific reports addressing this T g drop are available. Here …
Modeling of aromatics formation in fuel-rich methane oxy-combustion with an automatically generated pressure-dependent mechanism
With the rise in production of natural gas, there is increased interest in homogeneous partial
oxidation (POX) to convert methane to syngas (CO+ H2), ethene (C2H4) and acetylene …
oxidation (POX) to convert methane to syngas (CO+ H2), ethene (C2H4) and acetylene …
From benzene to naphthalene: direct measurement of reactions and intermediates of phenyl radicals and acetylene
Hydrogen-abstraction–C2H2-addition (HACA) is one of the most important pathways
leading to the formation of naphthalene, the simplest two-ring polycyclic aromatic …
leading to the formation of naphthalene, the simplest two-ring polycyclic aromatic …
Modeling study of high temperature pyrolysis of natural gas
High temperature pyrolysis (HTP) is a commercial process to convert methane to acetylene.
The HTP process consists of two reaction zones, followed by a quenching zone. In this work …
The HTP process consists of two reaction zones, followed by a quenching zone. In this work …
C 14 H 10 polycyclic aromatic hydrocarbon formation by acetylene addition to naphthalenyl radicals observed
The formation of polycyclic aromatic hydrocarbons (PAHs) during combustion has a
substantial impact on environmental pollution and public health. The hydrogen-abstraction …
substantial impact on environmental pollution and public health. The hydrogen-abstraction …
Direct measurement of radical-catalyzed C6H6 formation from acetylene and validation of theoretical rate coefficients for C2H3+ C2H2 and C4H5+ C2H2 reactions
The addition of vinylic radicals to acetylene is an important step contributing to the formation
of polycyclic aromatic hydrocarbons in combustion. The overall reaction 3C2H2→ C6H6 …
of polycyclic aromatic hydrocarbons in combustion. The overall reaction 3C2H2→ C6H6 …