Aggregation of FeCl2 Clusters in Supercritical Water Investigated by

Aggregation of FeCl2 Clusters in Supercritical Water Investigated by Molecular Dynamics Simulations. Norbert Lümmen* and Bjørn Kvamme. J. Phys. Chem...
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J. Phys. Chem. B 2008, 112, 15262

2008, Volume 112B Norbert Lu¨mmen* and Bjørn Kvamme: Aggregation of FeCl2 Clusters in Supercritical Water Investigated by Molecular Dynamics Simulations Page 12374. Shortly after online publication of our article, we noticed that the vertical axes of the four diagrams in Figure 6 are labeled wrong and that one sentence in the caption was misplaced. The axis labels and the figure caption have been corrected. The statements made in the text of the original article are not affected by these changes.

Figure 6. (a) Time development of the composition of the largest cluster for three simulation runs at different state points. Shown is the Fe2+ mole fraction of the largest cluster in a system. (b) Mole fraction of the largest cluster vs its size for three simulation runs at different state points. (c) Composition of the largest cluster vs cluster size for three simulation runs at different state points. The captions at the data points mark the ratio of Fe2+:Cl- ions in the clusters. (d) Same as part c but for another state point (Thb ) 873 K, 0.13 g/cm3).

10.1021/jp8082419 Published on Web 10/28/2008