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DC Field | Value | Language |
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dc.citation.endPage | 296 | - |
dc.citation.startPage | 287 | - |
dc.citation.title | WATER RESEARCH | - |
dc.citation.volume | 145 | - |
dc.contributor.author | Ko, Young-Jin | - |
dc.contributor.author | Choi, Keunsu | - |
dc.contributor.author | Lee, Soonjae | - |
dc.contributor.author | Jung, Kyung-Won | - |
dc.contributor.author | Hong, Seokwon | - |
dc.contributor.author | Mizuseki, Hiroshi | - |
dc.contributor.author | Choi, Jae Woo | - |
dc.contributor.author | Lee, Wook Seong | - |
dc.date.accessioned | 2023-12-21T20:07:04Z | - |
dc.date.available | 2023-12-21T20:07:04Z | - |
dc.date.created | 2018-11-19 | - |
dc.date.issued | 2018-11 | - |
dc.description.abstract | Chromate is considered a toxic contaminant in various water sources because it poses a risk to animal and human health. To meet the stringent limits for chromium in water and wastewater, pyrrolic nitrogen structure was investigated as a chromate adsorbent for aqueous solutions, employing a polypyrrole coating on carbon black. The characteristics of the adsorbent were analyzed by high-resolution transmission electron microscopy, energy-filtered transmission electron microscopy, and X-ray photoelectron spectroscopy. Chromate was adsorbed as both Cr(III) and Cr(VI). The chromate adsorption capacity increased (from 50.84 to 174.81 mg/g) with increasing amounts of pyrrole monomers (from 50 to 86%) in the adsorbent. The adsorption capacity was well-correlated with the pyrrolic nitrogen content (from 2.06 to 6.57 at%) in the adsorbent, rather than other types of nitrogen. The optimized adsorption capacity (174.81 mg/g in the equilibrium batch experiment and 211.10 mg/g at an initial pH of 3) was far superior to those of conventional adsorbents. We investigated the mechanism behind this powerful chromate adsorption on pyrrolic nitrogen via physical/chemical analyses of the pH-dependent adsorption behavior, supported by first-principles calculation based on density functional theory. We found that Cr(III) and Cr(VI) adsorption followed different reaction paths. Cr(III) adsorption occurred in two sequential steps: 1) A Jones oxidation reaction (JOR)-like reaction of Cr(VI) with pyrrolic N that generates Cr(III), and 2) Cr(III) adsorption on the deprotonated pyrrolic N through Cr(III)-N covalent bonding. Cr(VI) adsorption followed an alternative path: hydrogen-bonding to the deprotonation-free pyrrolic N sites. The pH-dependent fractional deprotonation of the pyrrolic N sites by the JOR-like reaction in the presence of chromate played an important role in the adsorption. © 2018 Elsevier Lt | - |
dc.identifier.bibliographicCitation | WATER RESEARCH, v.145, pp.287 - 296 | - |
dc.identifier.doi | 10.1016/j.watres.2018.08.033 | - |
dc.identifier.issn | 0043-1354 | - |
dc.identifier.scopusid | 2-s2.0-85053125903 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/25192 | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0043135418306596?via%3Dihub | - |
dc.identifier.wosid | 000449137700028 | - |
dc.language | 영어 | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.title | Strong chromate-adsorbent based on pyrrolic nitrogen structure: An experimental and theoretical study on the adsorption mechanism | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Engineering, Environmental; Environmental Sciences; Water Resources | - |
dc.relation.journalResearchArea | Engineering; Environmental Sciences & Ecology; Water Resources | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Chromate adsorption | - |
dc.subject.keywordAuthor | First-principles calculation | - |
dc.subject.keywordAuthor | Jones oxidation | - |
dc.subject.keywordAuthor | Polarization screening | - |
dc.subject.keywordAuthor | Pyrrolic nitrogen | - |
dc.subject.keywordPlus | HEXAVALENT CHROMIUM | - |
dc.subject.keywordPlus | AQUEOUS-SOLUTIONS | - |
dc.subject.keywordPlus | WASTE-WATER | - |
dc.subject.keywordPlus | VALUABLE METALS | - |
dc.subject.keywordPlus | REMOVAL | - |
dc.subject.keywordPlus | CARBON | - |
dc.subject.keywordPlus | SURFACE | - |
dc.subject.keywordPlus | REDUCTION | - |
dc.subject.keywordPlus | RECOVERY | - |
dc.subject.keywordPlus | KINETICS | - |
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