Predicting gas adsorption in complex microporous and mesoporous materials using a new density functional theory of finely discretized lattice fluids

Langmuir

Volumn 25, Issue 3, 2009, Pages 1296-1299

  Siderius, Daniel W ^a   Gelb, Lev D ^a  

^a WASHINGTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MODELS; COMPLEX MATERIALS; COMPUTATIONAL DEMANDS; DENSITY FUNCTIONAL; DENSITY-FUNCTIONAL THEORIES; DESORPTION HYSTERESIS; DISCRETIZATION; FLUID DENSITIES; HIGH SYMMETRIES; HYDROGEN ADSORPTIONS; INHOMOGENEOUS MATERIALS; MET-AL-ORGANIC FRAMEWORKS; MICROPOROUS AND MESOPOROUS MATERIALS; NITROGEN ADSORPTIONS; NON LOCALS; PORE MODELS; SIMPLE FLUIDS; SLIT PORES;

DESORPTION; FLUIDS; FUNCTIONAL MATERIALS; GAS ADSORPTION; HYDROGEN; MESOPOROUS MATERIALS; MICROPOROUS MATERIALS; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 61849128801     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la803666t     Document Type: Article

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