Comparison of first principles calculations and experiments for hydrogen permeation through amorphous ZrNi and ZrNiNb films

Journal of Membrane Science

Volumn 350, Issue 1-2, 2010, Pages 402-409

  Hao, Shiqiang ^a   Sholl, David S ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

Amorphous films; Hydrogen; Metal membranes; Modeling

Indexed keywords

AMORPHOUS METALS; DIFFUSIVITIES; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HYDROGEN PERMEATION; HYDROGEN PURIFICATION; METAL MEMBRANE; METAL MEMBRANES; PURIFICATION MEMBRANES; TWO-MATERIALS;

DENSITY FUNCTIONAL THEORY; FORECASTING; HYDROGEN; MECHANICAL PERMEABILITY; METAL REFINING; METALS; PURIFICATION; STATISTICAL MECHANICS; ZIRCONIUM;

AMORPHOUS FILMS;

HYDROGEN; NICKEL; NIOBIUM; ZIRCONIUM;

ARTICLE; ARTIFICIAL MEMBRANE; CONTROLLED STUDY; DIFFUSION; MEMBRANE PERMEABILITY; PRIORITY JOURNAL; PURIFICATION; SOLUBILITY; STATISTICAL ANALYSIS; TRANSPORT KINETICS;

EID: 76849096837     PISSN: 03767388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.memsci.2010.01.017     Document Type: Article

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