This paper presents molecular dynamics calculations of vibrational energy transfer and
nonequilibrium dissociation in O 2+ O collisions. The O 2+ O interactions are modeled using …

In this article, we propose a generalized model for nonequilibrium vibrational energy
distribution functions. The model can be used, in place of equilibrium (Boltzmann) …

This work presents a new formulation of the quantum-kinetic (QK) chemistry models, in
which the vibrational excitation is modeled with an anharmonic oscillator model. The new …

In this work, we propose a model for nonequilibrium vibrational and rotational energy
distributions in nitrogen using surprisal analysis. The model is constructed by using data …

Understanding gas–phase chemical kinetics is important for modeling hypersonic flows.
This paper discusses quasiclassical trajectory analysis, in which gas–phase interactions are …

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 …

An implementation of the Macheret-Fridman (MF) dissociation model for the direct simulation
Monte Carlo (DSMC) method is developed in this work. The model maintains the …

This work proposes an extended version of the quantum-kinetic chemistry models, aiming to
accurately reproduce experimental measurements and high-fidelity calculations in both …

In strong shock waves in rarefied gases, chemical processes such as dissociation and
exchange reactions occur in conditions of thermodynamic nonequilibrium, and the rate …

In this paper we study the vibrational energy transfer process and dissociation due to N _2+
N _2 collisions using the state-to-state method. We discuss vibrational state transition rates …