Modelling N2–O2 plasmas: volume and surface kinetics
V Guerra, A Tejero-del-Caz… - … Sources Science and …, 2019 - iopscience.iop.org
This paper reviews the basics of kinetic modelling in low-temperature N 2–O 2 plasmas,
including the strong coupling between electron, vibrational, chemical and surface kinetics …
including the strong coupling between electron, vibrational, chemical and surface kinetics …
Non-equilibrium plasma for ignition and combustion enhancement
This review is intended to give an overview of recent results on plasma-assisted ignition and
combustion. The influence of electrical discharges on combustion processes is introduced …
combustion. The influence of electrical discharges on combustion processes is introduced …
Modification of chemical-kinetic parameters for 11-air species in re-entry flows
The chemical-kinetic parameters for the two-temperature model for 11-air species are
modified to increase the accuracy of the thermochemical nonequilibrium model for high …
modified to increase the accuracy of the thermochemical nonequilibrium model for high …
Models validation and code profiling in state-to-state simulations of shock heated air flows
The objective of this study is to examine various combinations of vibration-chemical coupling
models in high-temperature air and oxygen flows behind shock waves. Simulations are …
models in high-temperature air and oxygen flows behind shock waves. Simulations are …
Reflected shock waves in air components and their mixtures: Validation of theoretical models
D Kravchenko, O Kunova, E Kustova, M Melnik - Acta Astronautica, 2024 - Elsevier
Nonequilibrium flows of air components behind reflected shock waves are systematically
studied on the basis of several theoretical models for the rate coefficients of fully coupled …
studied on the basis of several theoretical models for the rate coefficients of fully coupled …
Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N 2 O and dynamics for the N+ NO↔ O+ N 2 and N 2+ O→ 2N+ O …
Accurate potential energy surfaces (PESs) have been determined for the 3A′ and 3A′′
states of N2O using electronic structure calculations at the multireference configuration …
states of N2O using electronic structure calculations at the multireference configuration …
Reactive, inelastic, and dissociation processes in collisions of atomic nitrogen with molecular oxygen
F Esposito, I Armenise - The Journal of Physical Chemistry A, 2021 - ACS Publications
Collisions of atomic nitrogen with molecular oxygen have been treated with the
quasiclassical trajectory method (QCT) in order to obtain a complete database of …
quasiclassical trajectory method (QCT) in order to obtain a complete database of …
Vibrational deactivation in O (3P)+ N2 collisions: from an old problem towards its solution
In a recent communication [2021 Phys. Chem. Chem. Phys. 23 15475–79] we showed that
the correct modelling of vibrational quenching events in O+ N 2 (v) collisions, a fundamental …
the correct modelling of vibrational quenching events in O+ N 2 (v) collisions, a fundamental …
Reactive molecular dynamics: From small molecules to proteins
M Meuwly - Wiley Interdisciplinary Reviews: Computational …, 2019 - Wiley Online Library
The current status of reactive molecular dynamics (MD) simulations is summarized. Both,
methodological aspects and applications to problems ranging from gas phase reaction …
methodological aspects and applications to problems ranging from gas phase reaction …
Reconciling experimental and theoretical vibrational deactivation in low-energy O+ N 2 collisions
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular
nitrogen are known to show orders of magnitude discrepancies with experimental results in …
nitrogen are known to show orders of magnitude discrepancies with experimental results in …