Reactive molecular dynamics simulation of oil shale combustion using the ReaxFF reactive force field

Effect of vapor liquid equilibrium on product quality and yield in oil shale pyrolysis

(2018) E. Camilo Corredor et al.   FUEL

Numerical Simulation of In Situ Combustion of Oil Shale

(2017) Huan Zheng et al.   GEOFLUIDS

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

(2011) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

Development and Application of a ReaxFF Reactive Force Field for Hydrogen Combustion

(2011) Satyam Agrawalla et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane

(2010) Quan-De Wang et al.   COMBUSTION AND FLAME

Molecular Dynamics Simulations of Laser-Induced Incandescence of Soot Using an Extended ReaxFF Reactive Force Field

(2010) Amar M. Kamat et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural evolution during the reduction of chemically derived graphene oxide

(2010) Akbar Bagri et al.   Nature Chemistry

ReaxFF-molecular dynamics simulations of non-oxidative and non-catalyzed thermal decomposition of methane at high temperatures

(2010) Norbert Lümmen   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulating the Initial Stage of Phenolic Resin Carbonization via the ReaxFF Reactive Force Field

(2009) De-en Jiang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Initiation Mechanisms and Kinetics of Pyrolysis and Combustion of JP-10 Hydrocarbon Jet Fuel

(2009) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Early maturation processes in coal. Part 2: Reactive dynamics simulations using the ReaxFF reactive force field on Morwell Brown coal structures

(2009) Elodie Salmon et al.   ORGANIC GEOCHEMISTRY

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A