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SUMMARY:Applied CAMD in Development of Adsorbents for Extraction of Uraniu
 m from Seawater - Sinisa Vukovic ( University of Cambridge)
DTSTART:20160511T100000Z
DTEND:20160511T110000Z
UID:TALK66199@talks.cam.ac.uk
CONTACT:Joseph Nelson
DESCRIPTION:I will present three successful stages in adsorbent developmen
 t and contributions expected from a theoretician on a result-oriented team
  dedicated to creation of a material that would extract uranium from seawa
 ter. The first stage was to design and make a selective receptor for urani
 um in seawater conditions (using force fields\, ab initio\, HTS CAMD softw
 are\, synthesis). The second stage was to optimize a polymer that would ca
 rry designed receptors in the seawater (using molecular dynamics\, graftin
 g). The third stage was to make the adsorbent recyclable by inventing an e
 lution method to clean it without damaging it\, thus making the technology
  economically viable (electronic structure\, ICP-AES).\n\nThe following ar
 e relevant publications:\n* Y. Oyola\, S. Vukovic and S. Daia. "Dalton Tra
 ns.\, 2016":http://dx.doi.org/10.1039/C6DT00347H\n* S. Vukovic\, B. P. Hay
 \, and V. S. Bryantsev. "Inorg. Chem.\, 3995-4001\, *54*\, 2015":http://dx
 .doi.org/10.1021/acs.inorgchem.5b00264\n* X. Sun\, G. Tian\, C. Xu\, L. Ra
 o\, S. Vukovic\, S. O. Kang and B. P. Hayd. "Dalton Trans.\, 551-557\, *43
 *\, 2014":http://dx.doi.org/10.1039/C3DT52206G\n* S. Vukovic and B. P. Hay
 . "Inorg. Chem.\, 7805-7810\, *52*\, 2013":http://dx.doi.org/10.1021/ic401
 089u\n* S. O. Kang\, S. Vukovic\, R. Custelcean\, and B. P. Hay. "Ind. Eng
 . Chem. Res.\, 6619–6624\, *51*\, 2012":http://dx.doi.org/10.1021/ie3004
 92z\n* S. Vukovic\, L. A. Watson\, S. O. Kang\, R. Custelcean\, and B. P. 
 Hay. "Inorg. Chem.\, 3855-3859\, *51*\, 2012":http://dx.doi.org/10.1021/ic
 300062s
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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