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- W2928963164 abstract "Molecular dynamics (MD) simulations were performed to investigate the influence of curvature and backbone rigidity of an oxygenated surface, here graphene oxide (GO), on its adsorption of uranyl in collaboration with humic acid (HA). The planar curvature of GO was found to be beneficial in impeding the folding of HA. This, together with its rigidity that helps stabilize the extended conformation of HA, offered rich binding sites to interact with uranyl with only marginal loss of binding strength. According to our simulations, the interaction between uranyl and GO was mainly driven by electrostatic interactions. The presence of HA not only provided multiple sites to compete/cooperate with GO for adsorption of free uranyl but also interacted with GO acting as a bridge to connect uranyl and GO. The potential of mean force (PMF) profiles implied that HA significantly enhanced the interaction strength between uranyl and GO and stabilized the uranyl-GO complex. Meanwhile, GO could reduce the diffusion coefficients of uranyl and HA and retard their migrations in aqueous solution. This work provides theoretical hints on the GO-based remediation strategies for the sites contaminated by uranium or other heavy metal ions and oxygenated organic pollutants." @default.
- W2928963164 created "2019-04-11" @default.
- W2928963164 creator A5016909151 @default.
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- W2928963164 date "2019-04-04" @default.
- W2928963164 modified "2023-10-15" @default.
- W2928963164 title "Competition/Cooperation between Humic Acid and Graphene Oxide in Uranyl Adsorption Implicated by Molecular Dynamics Simulations" @default.
- W2928963164 cites W135584039 @default.
- W2928963164 cites W1653227289 @default.
- W2928963164 cites W1896467601 @default.
- W2928963164 cites W1954744330 @default.
- W2928963164 cites W1966107502 @default.
- W2928963164 cites W1972549127 @default.
- W2928963164 cites W1980678347 @default.
- W2928963164 cites W1985821733 @default.
- W2928963164 cites W1991664355 @default.
- W2928963164 cites W1993780583 @default.
- W2928963164 cites W1998574376 @default.
- W2928963164 cites W2000559306 @default.
- W2928963164 cites W2002440303 @default.
- W2928963164 cites W2002901553 @default.
- W2928963164 cites W2003331544 @default.
- W2928963164 cites W2009231455 @default.
- W2928963164 cites W2010419119 @default.
- W2928963164 cites W2010708878 @default.
- W2928963164 cites W2013084591 @default.
- W2928963164 cites W2014691661 @default.
- W2928963164 cites W2016230347 @default.
- W2928963164 cites W2025698733 @default.
- W2928963164 cites W2029667189 @default.
- W2928963164 cites W2030765885 @default.
- W2928963164 cites W2035687084 @default.
- W2928963164 cites W2041883439 @default.
- W2928963164 cites W2044887296 @default.
- W2928963164 cites W2049489052 @default.
- W2928963164 cites W2050553852 @default.
- W2928963164 cites W2059013803 @default.
- W2928963164 cites W2060858826 @default.
- W2928963164 cites W2064146019 @default.
- W2928963164 cites W2065232574 @default.
- W2928963164 cites W2065557593 @default.
- W2928963164 cites W2070654246 @default.
- W2928963164 cites W2070788423 @default.
- W2928963164 cites W2071868738 @default.
- W2928963164 cites W2076558070 @default.
- W2928963164 cites W2081693079 @default.
- W2928963164 cites W2082827671 @default.
- W2928963164 cites W2083308932 @default.
- W2928963164 cites W2086634221 @default.
- W2928963164 cites W2094340973 @default.
- W2928963164 cites W2098893299 @default.
- W2928963164 cites W2102715909 @default.
- W2928963164 cites W2104919283 @default.
- W2928963164 cites W2112154906 @default.
- W2928963164 cites W2132525235 @default.
- W2928963164 cites W2135479172 @default.
- W2928963164 cites W2140746165 @default.
- W2928963164 cites W2141273392 @default.
- W2928963164 cites W2146841531 @default.
- W2928963164 cites W2150764968 @default.
- W2928963164 cites W2160544821 @default.
- W2928963164 cites W2160697207 @default.
- W2928963164 cites W2161106913 @default.
- W2928963164 cites W2176894066 @default.
- W2928963164 cites W2256061213 @default.
- W2928963164 cites W2286058069 @default.
- W2928963164 cites W2319475087 @default.
- W2928963164 cites W2323925984 @default.
- W2928963164 cites W2330246753 @default.
- W2928963164 cites W2474826913 @default.
- W2928963164 cites W2515798566 @default.
- W2928963164 cites W2517612427 @default.
- W2928963164 cites W2527272583 @default.
- W2928963164 cites W2547285296 @default.
- W2928963164 cites W2608071402 @default.
- W2928963164 cites W2617470425 @default.
- W2928963164 cites W2619447757 @default.
- W2928963164 cites W2625195352 @default.
- W2928963164 cites W2726111521 @default.
- W2928963164 cites W2737694717 @default.
- W2928963164 cites W2745935860 @default.
- W2928963164 cites W2753898426 @default.
- W2928963164 cites W2765302254 @default.
- W2928963164 cites W2792143480 @default.
- W2928963164 cites W2793273553 @default.
- W2928963164 cites W2806288984 @default.
- W2928963164 cites W2902054251 @default.
- W2928963164 cites W2949763367 @default.
- W2928963164 doi "https://doi.org/10.1021/acs.est.9b00656" @default.
- W2928963164 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30945863" @default.
- W2928963164 hasPublicationYear "2019" @default.
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