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Structural properties of deprotonated naphthenic acids immersed in water in pristine and hydroxylated carbon nanopores from molecular perspectives
Download2021-08-05
Zhang, Mingshan, Li, Wenhui, Jin, Zhehui
We use molecular dynamic simulations to study the structural properties of deprotonated cyclohexanoic acid (DCHA) and heptanoic acid (DHA) immersed in water in pristine and hydroxylated carbon nanopores (PACNs and HACNs) in relation to NA removal by activated carbons (ACs). In PACNs, both NAs can...
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