Manish
Chopra
a and
Niharendu
Choudhury
*b
aRadiation Safety Systems Division, Bhabha Atomic Research Centre, Mumbai – 400 085, India
bTheoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai – 400 085, India. E-mail: nihcho@barc.gov.in; Fax: +91 22-2551 5151; Tel: +91 22-2559 5089
First published on 10th December 2015
Correction for ‘Molecular dynamics simulation study of distribution and dynamics of aqueous solutions of uranyl ions: the effect of varying temperature and concentration’ by Manish Chopra et al., Phys. Chem. Chem. Phys., 2015, 17, 27840–27850.
Diffusion coefficients, DPBC (10−5 cm2 s−1) of overall water molecules | |||||
---|---|---|---|---|---|
240 K | 270 K | 298 K | 330 K | 360 K | |
U1 | 1.82 | 3.43 | 5.28 | 7.51 | 9.60 |
U5 | 1.59 | 2.98 | 4.50 | 6.42 | 8.01 |
U10 | 1.36 | 2.45 | 3.58 | 4.88 | 6.27 |
Diffusion coefficients, DPBC (10−5 cm2 s−1) of coordination shell water molecules | |||||
---|---|---|---|---|---|
240 K | 270 K | 298 K | 330 K | 360 K | |
U1 | 0.56 | 0.93 | 1.86 | 2.19 | 2.94 |
U5 | 0.54 | 0.86 | 1.35 | 2.09 | 2.44 |
U10 | 0.43 | 0.75 | 1.20 | 1.61 | 1.94 |
Diffusion coefficients, DPBC (10−5 cm2 s−1) for uranium atom of uranyl ion | |||||
---|---|---|---|---|---|
240 K | 270 K | 298 K | 330 K | 360 K | |
U1 | 0.46 | 0.76 | 1.37 | 1.89 | 2.43 |
U5 | 0.36 | 0.70 | 1.09 | 1.63 | 2.12 |
U10 | 0.29 | 0.55 | 0.87 | 1.19 | 1.46 |
240 K | 270 K | 298 K | 330 K | 360 K | |
---|---|---|---|---|---|
Corrected diffusion coefficients, Do (10−5 cm2 s−1) of overall water molecules | |||||
U1 | 2.25 | 4.01 | 6.07 | 8.59 | 10.98 |
U5 | 2.02 | 3.56 | 5.29 | 7.50 | 9.39 |
U10 | 1.79 | 3.03 | 4.37 | 5.96 | 7.65 |
Corrected diffusion coefficients, Do (10−5 cm2 s−1) of coordination shell water molecules | |||||
U1 | 0.99 | 1.51 | 2.65 | 3.27 | 4.32 |
U5 | 0.97 | 1.44 | 2.26 | 3.17 | 3.82 |
U10 | 0.86 | 1.33 | 1.99 | 2.69 | 3.32 |
Corrected diffusion coefficients, Do (10−5 cm2 s−1) of uranium atom of uranyl ions | |||||
U1 | 0.89 | 1.34 | 2.16 | 2.97 | 3.81 |
U5 | 0.79 | 1.28 | 1.88 | 2.71 | 3.50 |
U10 | 0.72 | 1.13 | 1.66 | 2.27 | 2.84 |
In addition, on page 27848, 4th line above Table 5, the value 2.3 × 10−9 cm2 s−1 should actually be 2.3 × 10−5 cm2 s−1.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
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