Related Experiment Video
Updated: Dec 18, 2025

Author Spotlight: Evaluation of Protein-Condensate Dynamics in Live Human Cells
Published on: January 5, 2024
Consistent kinetic-continuum dissociation model. II. Continuum formulation and verification
Narendra Singh1, Thomas Schwartzentruber1
1Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, Minnesota 55455, USA.
Abstract:
In this article, we implement a recently developed non-equilibrium chemical kinetics model [N. Singh and T. Schwartzentruber, J. Chem. Phys. 152, 224302 (2020)] based on ab initio simulation data and perform verification studies. Direct molecular simulation data are used to verify the predictive capabilities of the model. Using the model, dominant physics, such as the 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 computational fluid dynamic simulations is proposed. Without incurring additional computational cost, the model can be used in existing flow solvers to analyze hypersonic flows.
More Related Videos
11:03An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
10:52Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Related Concept Videos
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model
Mechanistic Models: Overview of Compartment Models
Theories of Dissolution: Diffusion Layer Model
This process starts with a thin layer, saturated with the drug, forming at the interface between the solid and liquid. The solute then diffuses from this layer into the main solution. The Noyes-Whitney equation suggests that the rate of dissolution relies on the diffusion...
Basic Postulates of Kinetic Molecular Theory: Particle Size, Energy, and Collision
Multicompartment Models: Overview
These models offer a more comprehensive representation of drug behavior in the body than one-compartment models. They accommodate the complexity of drug distribution,...
Equation of Continuity