Simulation and Optimization
- Ultra-deep Removal of Metal Ions from Coal Tar by Complexation: Experimental Studies and Density Functional Theory Simulations
- Pyrolysis Mechanism of a Cyclotriphosphazene-Based Flame-Retardant Epoxy Resin by ReaxFF Molecular Dynamics
- Simulation of Solvent Extraction for Naphthenic Lubricating Base Oils