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2017 | 72 | 2 |
Article title

Molecular dynamics simulation of an aqueous Na2SO4 solution

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EN
Abstracts
EN
The structure of sodium sulfate in tip3p water solution with the concentration of 0.1191 mol/dm3 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 SO42-/H2O have been obtained. 
Year
Volume
72
Issue
2
Physical description
Dates
published
2017
online
2018-09-10
Contributors
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.ojs-doi-10_17951_aa_2017_72_2_67-76
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