Progress and prospective of nitrogen-based alternative fuels
Alternative fuels are essential to enable the transition to a sustainable and environmentally
friendly energy supply. Synthetic fuels derived from renewable energies can act as energy …
friendly energy supply. Synthetic fuels derived from renewable energies can act as energy …
Ammonia pyrolysis and oxidation chemistry
M Monge-Palacios, X Zhang, N Morlanes… - Progress in Energy and …, 2024 - Elsevier
Ammonia has been essential to human activities for centuries. It is widely used as feedstock
for fertilizers, industrial chemicals, and emission after-treatment systems. Owing to its …
for fertilizers, industrial chemicals, and emission after-treatment systems. Owing to its …
A chemical kinetics network for lightning and life in planetary atmospheres
There are many open questions about prebiotic chemistry in both planetary and
exoplanetary environments. The increasing number of known exoplanets and other ultra …
exoplanetary environments. The increasing number of known exoplanets and other ultra …
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
B Fu, X Shan, DH Zhang, DC Clary - Chemical Society Reviews, 2017 - pubs.rsc.org
This review surveys quantum scattering calculations on chemical reactions of polyatomic
molecules in the gas phase published in the last ten years. These calculations are useful …
molecules in the gas phase published in the last ten years. These calculations are useful …
Valence bond theory for chemical dynamics
DG Truhlar - Journal of computational chemistry, 2007 - Wiley Online Library
This essay provides a perspective on several issues in valence bond theory: the physical
significance of semilocal bonding orbitals, the capability of valence bond concepts to explain …
significance of semilocal bonding orbitals, the capability of valence bond concepts to explain …
Kinetic modeling of the decomposition and flames of hydrazine
AA Konnov, J De Ruyck - Combustion and flame, 2001 - Elsevier
A detailed N/H reaction mechanism has been developed and validated by comparing
modeling results with measurements of hydrazine pyrolysis in shock waves, and in …
modeling results with measurements of hydrazine pyrolysis in shock waves, and in …
Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for
JC Corchado, DG Truhlar… - The Journal of Chemical …, 2000 - pubs.aip.org
A new potential energy surface is reported for the gas-phase reaction Cl+ CH 4→ HCl+ CH
3. It is based on the analytical function of Jordan and Gilbert for the analog reaction H+ CH …
3. It is based on the analytical function of Jordan and Gilbert for the analog reaction H+ CH …
Investigating the plasma chemistry for the synthesis of carbon nanotubes/nanofibres in an inductively coupled plasma enhanced CVD system: the effect of different …
M Mao, A Bogaerts - Journal of Physics D: Applied Physics, 2010 - iopscience.iop.org
A hybrid model, called the hybrid plasma equipment model (HPEM), was used to study an
inductively coupled plasma in gas mixtures of H 2 or NH 3 with CH 4 or C 2 H 2 used for the …
inductively coupled plasma in gas mixtures of H 2 or NH 3 with CH 4 or C 2 H 2 used for the …
Global dynamics and transition state theories: comparative study of reaction rate constants for gas‐phase chemical reactions
In this review article, we present a systematic comparison of the theoretical rate constants for
a range of bimolecular reactions that are calculated by using three different classes of …
a range of bimolecular reactions that are calculated by using three different classes of …
QDB: a new database of plasma chemistries and reactions
One of the most challenging and recurring problems when modeling plasmas is the lack of
data on the key atomic and molecular reactions that drive plasma processes. Even when …
data on the key atomic and molecular reactions that drive plasma processes. Even when …