Consistent Kinetic-Continuum Dissociation Model II: Continuum Formulation and Verification

TL;DR

This paper presents a continuum formulation and verification of a non-equilibrium chemical kinetics model for dissociation, enabling accurate hypersonic flow analysis without extra computational cost.

Contribution

The paper develops and verifies a continuum model based on ab initio data, identifying key physics and proposing a simplified implementation for CFD simulations.

Findings

Model accurately predicts dissociation physics.

Non-Boltzmann effects are quantitatively characterized.

Simplified model integrates into CFD without extra cost.

Abstract

In this article, we implement a recently developed non-equilibrium chemical kinetics model \cite{singhmodeldevelopment2019} based on \textit{ab initio} simulation data and perform verification studies. Direct molecular simulation data is used to verify the predictive capabilities of the model. Using the model, dominant physics such as need for a rotational energy equation, and the quantitative role of non-Boltzmann effects are identified. Based on the analysis and reasonable assumptions, a simplified model for implementation into large-scale CFD simulations is proposed. Without incurring additional computational cost, the model can be used in existing flow solvers to analyze hypersonic flows.