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Elucidating Adsorption Mechanisms of Phthalate Esters upon Carbon Nanotubes/Graphene and Natural Organic Acid Competitive Effects in Water by DFT and MD Calculations
Author(s) -
Wang Zhuang,
Wang Se,
Chen Mindong,
Xu Defu,
Tang Lili,
Wang Degao
Publication year - 2015
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.10309
Subject(s) - adsorption , benzoic acid , carbon nanotube , graphene , alkyl , chemistry , phthalic acid , phthalate , density functional theory , aqueous solution , molecule , molecular dynamics , organic chemistry , carbon fibers , chemical engineering , computational chemistry , materials science , nanotechnology , engineering , composite number , composite material
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