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 …

Molecular simulation of flows in thermochemical non-equilibrium around a cylinder using ab initio potential energy surfaces for N2+ N and N2+ N2 interactions

P Valentini, MS Grover, N Bisek, A Verhoff - Physics of Fluids, 2021 - pubs.aip.org
We present two-dimensional direct molecular simulation (DMS) results for high-enthalpy
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 …

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 …

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 …

A quantum–classical study of the effect of the long range tail of the potential on reactive and inelastic OH+ H2 dynamics

C Martí, A Laganà, L Pacifici, F Pirani, C Coletti - Chemical Physics Letters, 2021 - Elsevier
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 …

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 …

Heavy-particle elementary processes in hypersonic flows

F Esposito, R Macdonald, ID Boyd… - Hypersonic …, 2019 - iopscience.iop.org
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 …

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 …

Collision induced dissociation cross-section for high energy N2-O2 collisions

TK Mankodi, UV Bhandarkar, BP Puranik - Chemical Physics Letters, 2018 - Elsevier
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 …