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The pyrolysis of 4,4,8,10-tetramethyl decalin and the influence of molecular structures on oil thermal cracking: A ReaxFF molecular dynamics simulation and DFT study

Materials ScienceChemical EngineeringMolecular DynamicsOil Thermal CrackingEngineeringPetrochemicalAnalytical PyrolysisMolecular Structures4,4,8,10-Tetramethyl DecalinPhysical ChemistryThermodynamicsChemistryApplied PyrolysisChemical KineticsPyrolysis Process