Molecular dynamics simulation of lignite macromolecular model construction and its wettability

Puntos clave

• Wettability characteristics of lignite are determined based on molecular dynamics simulation output.
• The simulation reveals key interactions affecting lignite's surface properties at the molecular level.
• Analysis focused on modeling lignite macromolecules and their behavior in different environments.
• Further investigation is needed to apply findings to real-world lignite processing and usage.