Table 1 Number of atoms and molecules in disordered gels with water contents of 5.4% (wc05), 18.1% (wc18), and 31.2% (wc31). The average box sizes are also listed.
From: Molecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores
Si | Al | H2O | H3O+ | Na | O | OH | Volume Å3 | |
|---|---|---|---|---|---|---|---|---|
wc05 | 537 | 67 | 100 | 39 | 28 | 350 | 830 | 39079 |
wc18 | 529 | 67 | 500 | 39 | 28 | 328 | 846 | 47012 |
wc31 | 508 | 67 | 1050 | 39 | 28 | 296 | 898 | 63574 |