Implicit solvent model for effective molecular dynamics simulations of systems composed of colloid nanoparticles and carbon nanotubes

Journal of Colloid and Interface Science

Volumn 383, Issue 1, 2012, Pages 55-62

  Panczyk, Tomasz ^a   Szabelski, Pawel ^b   Drach, Mateusz ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

Author keywords

Carbon nanotube; Dispersion interaction; Implicit solvent; Molecular dynamics; Nanoparticle

Indexed keywords

COLLOID NANOPARTICLES; COMPUTATION TIME; DISPERSION INTERACTION; DISPERSIVE INTERACTIONS; DYNAMIC BEHAVIOURS; HAMAKER THEORY; IMPLICIT SOLVENT MODEL; IMPLICIT SOLVENTS; LANGEVIN DYNAMICS; MOLECULAR DYNAMICS SIMULATIONS; NANOMETER SIZE; NANOPARTICLE SIZES; PAIR INTERACTIONS; SIMULATION BOXES; SLAB GEOMETRY; SOLVENT MOLECULES; WORK OF ADHESION;

CARBON NANOTUBES; COLLOIDS; COMPUTER SIMULATION; MOLECULAR DYNAMICS; SOLVENTS;

NANOPARTICLES;

CARBON NANOTUBE; NANOPARTICLE; SOLVENT;

ACCURACY; ADHESION; ARTICLE; ATOM; COLLOID; DISPERSION; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULE; PARTICLE SIZE; PREDICTION; PRIORITY JOURNAL; THEORY;

EID: 84864092576     PISSN: 00219797     EISSN: 10957103     Source Type: Journal    
DOI: 10.1016/j.jcis.2012.06.035     Document Type: Article

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