Understanding the thermal activation behavior of montmorillonite and kaolinite at atomic level by ReaxFF molecular dynamics simulations
Wei Ge, Hengheng Mao, Jun Chen, Fanfei Min, Hui Liu, Shaoxian Song
Topics & Concepts
ReaxFFKaoliniteMolecular dynamicsMontmorilloniteChemical physicsThermalMaterials scienceChemistryChemical engineeringComputational chemistryThermodynamicsMineralogyOrganic chemistryPhysicsInteratomic potentialEngineeringClay minerals and soil interactionsGlass properties and applicationsConcrete and Cement Materials Research