Influence of force field used in carbon nanostructure reconstruction on simulated phenol adsorption isotherms in aqueous medium
Zineb El Oufir, Hamidréza Ramézani, Nathalie Mathieu, Sandrine Delpeux, Suresh K. Bhatia
Topics & Concepts
AdsorptionLamellar structureAqueous solutionMolecular dynamicsForce field (fiction)SolvationMaterials scienceCarbon fibersPhenolChemical physicsNanostructureMonte Carlo methodChemistryMoleculePhysical chemistryComputational chemistryCrystallographyNanotechnologyComposite materialOrganic chemistryPhysicsQuantum mechanicsComposite numberStatisticsMathematicsCarbon Nanotubes in CompositesPhase Equilibria and ThermodynamicsNanopore and Nanochannel Transport Studies