Large-scale atomistic model construction of subbituminous and bituminous coals for solvent extraction simulations with reactive molecular dynamics
Pilsun Yoo, Gang Seob Jung, Matthew R. Ryder, Frédéric Vautard, Ercan Cakmak, Sungsool Wi, Matthew C. Weisenberger, Edgar Lara‐Curzio, Jonathan P. Mathews, Stephan Irle
Topics & Concepts
Molecular dynamicsAsphaltExtraction (chemistry)Solvent extractionMaterials scienceSolventChemistryOrganic chemistryComputational chemistryComposite materialThermochemical Biomass Conversion ProcessesRadioactive element chemistry and processingExtraction and Separation Processes