【摘 要】
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Uranium is the most important fuel in the nuclear reactor.With the increase of demand for uranium in nuclear plants,many efforts havebeen made to search for the new uranium resources.The total amount
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Uranium is the most important fuel in the nuclear reactor.With the increase of demand for uranium in nuclear plants,many efforts havebeen made to search for the new uranium resources.The total amount of uranium in seawater is almost 1000 times of the amount of uranium in the terrestrial ores1,which make the seawater as the potential alternative uranium sources in the future.Since the 1960s,many techniques have been investigated to recover the uranium from seawater2.One of key factors for uranium extraction from seawater is the understanding of chemical interactions between uranyland sequestering agents.In this work,we have theoretically studied the bonding between uranyl and two novel amidoxime-based sorbents,glutarimidedioxime3and phthalimidedioxime4.Based on our calculations and chemical bonding analysis,significant covalency has been found between the uranium and coordination atoms and the most important contribution of bonding comes from U-N bond.Energy decomposition analysis(EDA)shows that glutarimidedioxime is binding more efficient than phthalimidedioxime with uranyl ion,which is attributed to relatively strong UO bond in glutarimidedioxime.
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