Characterization of nano-domains in ionic liquids with molecular simulations

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 3, 2009, Pages 605-613

  Seduraman, Abirami ^a   Klähn, Marco ^a   Wu, Ping ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

Alkyl chain; Domain; Ionic liquid; Micelle; Molecular dynamics

Indexed keywords

ALKYL CHAIN; ALKYL CHAIN LENGTHS; DOMAIN; DOMAIN FORMATION; ELECTROSTATIC POTENTIALS; ELECTROSTATIC REPULSION; FORCE FIELDS; GUANIDINIUM; IMIDAZOLIUM; LIQUID PHASE; LONG ALKYL CHAINS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; NANO DOMAIN; NITRATE ANIONS; POSITIVE CHARGES; SOLVATION PROPERTIES; VAN DER WAALS INTERACTIONS;

ALKYLATION; CHARGE DISTRIBUTION; CHARGED PARTICLES; ELECTROSTATICS; IONIZATION OF LIQUIDS; MICELLES; MOLECULAR DYNAMICS; NEGATIVE IONS; POSITIVE IONS; VAN DER WAALS FORCES;

IONIC LIQUIDS;

EID: 69349090021     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2009.06.003     Document Type: Article

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