Molecular dynamics simulation of an aqueous Na2SO4 solution
2018 ◽
Vol 72
(2)
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pp. 67
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Keyword(s):
<p>The structure of sodium sulfate in tip3p water solution with the concentration of 0.1191 mol/dm<sup>3</sup> was studied by means of classical molecular dynamics. Both ions have clear hydration shells. The comparison between radial distribution functions and cumulative numbers of selected atoms around the reference one makes it possible to precisely describe the structure of investigated system. Applying such tools geometrical parameters of the hydrogen bond of the dimer SO<sub>4</sub><sup>2-</sup>/H<sub>2</sub>O have been obtained.</p><p> </p>
1990 ◽
Vol 45
(11-12)
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pp. 1342-1344
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2004 ◽
Vol 10
(2)
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pp. 161-167
2007 ◽
Vol 111
(35)
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pp. 10474-10480
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2017 ◽
Vol 58
(2)
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pp. 384-391
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2004 ◽
Vol 385
(5-6)
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pp. 491-497
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2010 ◽
Vol 133
(1)
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pp. 014504
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