Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling
Abstract
The kinetics methane activation (MgO+ + CH4) was studied experimentally and computationally by running and analyzing reactive atomistic simulations.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2020
- Source ID
- 10.1039/d0cp00668h
Entities
People
- Albert A Viggiano
- Asmaa Kassem
- Brendan C Sweeny
- Hanqing Pan
- Jordan C. Sawyer
- Markus Meuwly
- Meenu Upadhyay
- Nicholas S Shuman
- Oliver T Unke
- Sebastian Brickel
- Shaun G Ard
Organizations
- Air Force Office of Scientific Research
- Air Force Research Laboratory
- Boston College
- Kirtland Air Force Base
- National Research Council
- Swiss National Science Foundation
- United States Army
- University of Basel
- Yusuf Hamied Department of Chemistry