ReaxFF based molecular dynamics simulations of ignition front propagation in hydrocarbon/oxygen mixtures under high temperature and pressure conditions
Abstract
This work investigates the ignition front speed of hydrocarbon fuels at atomistic level for the first time using the ReaxFF reactive force field method.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2017
- Source ID
- 10.1039/c6cp08164a
Entities
People
- Abhishek Jain
- Adri. C. T. Van Duin
- Chowdhury M Ashraf
- Yuan Xuan
Organizations
- Air Force Office of Scientific Research
- Lone Star College System
- Pennsylvania State University
- United States Army