Simulation strategies for ReaxFF molecular dynamics in coal pyrolysis applications: A review
Shuaihong Liu, Lihong Wei, Qian Zhou, Tianhua Yang, Shaobai Li, Quan Zhou
Topics & Concepts
ReaxFFPyrolysisMolecular dynamicsCoalBiochemical engineeringProcess engineeringChemistryComputer scienceComputational chemistryEngineeringOrganic chemistryInteratomic potentialThermochemical Biomass Conversion ProcessesCoal Properties and UtilizationPetroleum Processing and Analysis