Development of Chemical Kinetics Models from Atomistic Reactive Molecular Dynamics Simulations: Application to Iso-octane Combustion and Rubber Ablative Degradation

Document Details

Document Type
Pub Defense Publication
Publication Date
May 19, 2022
Source ID
10.1021/acs.jpca.2c00901

Entities

People

  • Kiran Sasikumar
  • Peter Cross
  • Raghavan Ranganathan
  • Richard Burnes
  • Srujan Rokkam
  • Tapan Desai

Organizations

  • National Science Foundation
  • Naval Air Warfare Center
  • Naval Air Warfare Center, Weapons Division