The molecular basis of CO2 interaction with polymers containing fluorinated groups: Computational chemistry of model compounds and molecular simulation of poly [bis(2,2,2-trifluoroethoxy)phosphazene]

Polymer

Volumn 44, Issue 15, 2003, Pages 4363-4372

  Fried, J R ^a   Hu, N ^a  

^a University of Cincinnati   (United States)

Author keywords

Carbon dioxide; Molecular association; Solubility

Indexed keywords

COMPUTER SIMULATION; FLUORINE; HYDROGEN BONDS; ISOTHERMS; MECHANICAL PERMEABILITY; MONTE CARLO METHODS; PARAFFINS; POLYMETHYL METHACRYLATES; SORPTION;

MOLECULAR ORBITAL CALCULATIONS;

CARBON DIOXIDE;

CARBON DIOXIDE; POLYMER; POLYPHOSPHATE; POLY[BIS(2,2,2 TRIFLUOROETHOXY)PHOSPHAZENE]; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; CORRELATION ANALYSIS; DIPOLE; FLUORINATION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; SIMULATION; SOLUBILITY;

CARBON DIOXIDE; MOLECULAR STRUCTURE; SOLUBILITY;

EID: 0037594063     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(03)00285-4     Document Type: Article

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