Modeling gas diffusion and gas storage in amorphous aggregates of large polyconjugated molecules

Journal of Computational Methods in Sciences and Engineering

Volumn 2, Issue 3-4, 2002, Pages 441-449

  Negri, Fabrizia ^a   Emanuele, Emanuela ^a   Calabretta, Aurora ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

Diffusion; Hydrogen Storage; Molecular Aggregates; Molecular Dynamics; Molecular Mechanics; Simulations

Indexed keywords

AGGREGATES; AMORPHOUS MATERIALS; COMPUTATIONAL CHEMISTRY; DIFFUSION; FREE ENERGY; HYDROGEN; HYDROGEN STORAGE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; ORGANIC POLYMERS; PACKAGING MATERIALS; POLYPYRROLES; STORAGE (MATERIALS);

CARBONACEOUS MATERIALS; COMPUTATIONAL STUDIES; HYDROGEN STORAGE CAPACITIES; MOLECULAR AGGREGATE; MOLECULAR DYNAMICS SIMULATIONS; POLYCONJUGATED MOLECULES; POLYPHENYLENE DENDRIMER; SIMULATIONS;

AGGLOMERATION;

EID: 25844508688     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/JCM-2002-23-420     Document Type: Article

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