Transferable force field for water adsorption in cation-exchanged titanosilicates

Industrial and Engineering Chemistry Research

Volumn 46, Issue 17, 2007, Pages 5754-5765

  Larentzos, James P ^a   Schneider, William F ^b   Maginn, Edward J ^b  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b University of Notre Dame

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; ION EXCHANGE; NEUTRON DIFFRACTION; ZEOLITES;

ATOMIC BOUNDARIES; FORCE FIELD; TITANOSILICATES;

WATER ABSORPTION;

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; ION EXCHANGE; NEUTRON DIFFRACTION; WATER ABSORPTION; ZEOLITES;

EID: 34548202724     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie070276g     Document Type: Article

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