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 …
Molecular simulation of flows in thermochemical non-equilibrium around a cylinder using ab initio potential energy surfaces for N2+ N and N2+ N2 interactions
We present two-dimensional direct molecular simulation (DMS) results for high-enthalpy
nitrogen flows in thermochemical non-equilibrium around a circular cylinder. The …
nitrogen flows in thermochemical non-equilibrium around a circular cylinder. The …
[HTML][HTML] Vibrational energy transfer and dissociation in O2–N2 collisions at hyperthermal temperatures
DA Andrienko, ID Boyd - The Journal of chemical physics, 2018 - pubs.aip.org
Simulation of vibrational energy transfer and dissociation in O 2–N 2 collisions is conducted
using the quasi-classical trajectory method on an ab initio potential energy surface …
using the quasi-classical trajectory method on an ab initio potential energy surface …
Exhaustive State-to-State Cross Sections and Rate Coefficients for Inelastic N2–N2 Collisions using QCT Combined with Neural Network Models
CM Guo, H Zhang, XL Cheng - The Journal of Physical Chemistry …, 2024 - ACS Publications
Using the quasi-classical trajectory method, we systematically studied the state-to-state
vibrational relaxation process of N2 (v 1)+ N2 (v 2) collisions over a wide temperature range …
vibrational relaxation process of N2 (v 1)+ N2 (v 2) collisions over a wide temperature range …
Global and Full-Dimensional Potential Energy Surfaces of the N2 + O2 Reaction for Hyperthermal Collisions
C Tao, J Yang, Q Hong, Q Sun, J Li - The Journal of Physical …, 2023 - ACS Publications
The energy transfer, dissociations, and chemical reactions between O2 and N2 play an
important role in the re-entry process of aircraft and many atmospheric, combustion, and …
important role in the re-entry process of aircraft and many atmospheric, combustion, and …
A quantum–classical study of the effect of the long range tail of the potential on reactive and inelastic OH+ H2 dynamics
The paper discusses an extension of the time-dependent quantum–classical technique to
the calculation of the OH+ H 2 diatom–diatom collision properties in order to compute rate …
the calculation of the OH+ H 2 diatom–diatom collision properties in order to compute rate …
Dissociation of oxygen and nitrogen in a bimolecular reaction at hypersonic temperatures
D Andrienko, ID Boyd - 2018 AIAA Aerospace Sciences Meeting, 2018 - arc.aiaa.org
Simulation of vibrational energy transfer and dissociation in O2–N2 collisions is conducted
using the quasiclassical trajectory method on an ab-initio potential energy surface. State …
using the quasiclassical trajectory method on an ab-initio potential energy surface. State …
Heavy-particle elementary processes in hypersonic flows
The role of detailed knowledge of elementary processes in the accurate modellization of
hypersonics is well known nowadays. This is due to the presence of non-equilibrium …
hypersonics is well known nowadays. This is due to the presence of non-equilibrium …
Master equation simulation of O2-N2 collisions on an ab-initio potential energy surface
D Andrienko, ID Boyd - 47th AIAA Thermophysics Conference, 2017 - arc.aiaa.org
Nomenclature v, w initial vibrational states of O2 and N2 v, w final vibrational states of O2
and N2∆ v= v− v O2 vibrational quantum jump∆ w= w− w N2 vibrational quantum jump K rate …
and N2∆ v= v− v O2 vibrational quantum jump∆ w= w− w N2 vibrational quantum jump K rate …
Collision induced dissociation cross-section for high energy N2-O2 collisions
Cross-sections for O 2 and N 2 dissociation on N 2 O 2 CASSCF-CASPT2 PES are
calculated and reported for high energy collisions (up to 30 eV). An earlier reported …
calculated and reported for high energy collisions (up to 30 eV). An earlier reported …