Comparison of perfluoropolyethers and n-alkanes under shear via nonequilibrium molecular dynamics simulation

Molecular Simulation

Volumn 34, Issue 2, 2008, Pages 231-242

  Jiang, B ^a   Kim, J M ^a   Keffer, D J ^a   Edwards, B J ^a  

^a University of Tennessee   (United States)

Author keywords

Lubrication; Nonequilibrium molecular dynamics simulation; Perfluoropolyether; Rheology; Viscosity

Indexed keywords

ALIGNMENT; CHAIN LENGTH; CHAINS; CHANNEL FLOW; DYNAMICS; ETHERS; FLOW SIMULATION; FLUORINE; HYDROCARBONS; HYDRODYNAMICS; MECHANICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NANOFLUIDICS; ORGANIC COMPOUNDS; PARAFFINS; QUANTUM CHEMISTRY; RATE CONSTANTS; RHEOLOGY; SHEAR DEFORMATION; SHEAR FLOW; SPEED; VISCOSITY;

CHAIN ARCHITECTURE; CHAIN FLEXIBILITY; CHAIN LENGTHS; COUETTE FLOWS; DEGREE OF ALIGNMENT; ENERGETIC PROPERTIES; ETHER LINKAGES; FLOW FIELDS; FLOW STRENGTH; FLUORINE ATOMS; FORCE FIELD; HIGH SHEAR; LOCAL ENVIRONMENTS; LUBRICATION; MOLECULAR ARCHITECTURES; MOLECULAR DYNAMICS SIMULATIONS; MONOMERIC UNITS; N-ALKANES; NEMD SIMULATIONS; NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION; NONEQUILIBRIUM MOLECULAR-DYNAMICS SIMULATIONS; PARAMETER SETS; PERFLUOROPOLYETHER; PERFLUOROPOLYETHERS; PERIODIC TABLES; QUANTITATIVE COMPARISON; RELATIVE FLEXIBILITY; RHEOLOGICAL PROPERTIES; SHEAR RATES; SHORTER CHAINS; STRUCTURAL VARIATIONS; UNIVERSAL FORCE FIELD;

STRUCTURAL PROPERTIES;

EID: 46049110093     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020801993362     Document Type: Conference Paper

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