Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales Using Kinetic Models: Applications to Hydrocarbon Pyrolysis

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 18, 2022
Source ID
10.1021/acs.jctc.2c00623

Entities

People

  • Austin D Sendek
  • Brandi Ransom
  • Evan J Reed
  • Jose Blanchet
  • Rodrigo Freitas
  • Vincent Dufour-Décieux

Organizations

  • Air Force Office of Scientific Research
  • Massachusetts Institute of Technology
  • Stanford University