Concepedia
Fuel Processing Technology · 2018 · 37 citations · 28 references
Chemical EngineeringChemical KineticsEngineeringAnalytical PyrolysisMolecular Dynamics SimulationsCokingThermodynamicsChemistryHeat TransferApplied PyrolysisMolecular DynamicsLow-rank Coal PyrolysisPyrolysis Process
28
ReaxFF: A Reactive Force Field for Hydrocarbons
Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.1K citations
Bond Dissociation, Chemical Kinetics, Chemical Thermodynamics +15
Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films
Donald W. Brenner · Physical review. B, Condensed matter · 1990 · 4K citations
Engineering, Computational Chemistry, Vacuum Device +24
New empirical approach for the structure and energy of covalent systems
J. Tersoff · Physical review. B, Condensed matter · 1988 · 3.5K citations
Empirical Interatomic Potentials, Engineering, Physics +14
Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques
Hasan Metin Aktulga, Joseph Fogarty, Sagar Pandit et al. · Parallel Computing · 2011 · 1K citations
Engineering, Parallel Programming, Computational Chemistry +5
Chemical percolation model for devolatilization. 3. Direct use of carbon-13 NMR data to predict effects of coal type
Thomas H. Fletcher, Alan R. Kerstein, Ronald J. Pugmire et al. · Energy & Fuels · 1992 · 389 citations
Carbon Sequestration, Chemical Engineering, Carbon-13 Nmr Data +11