𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Atomistic simulation of the surface structure of wollastonite

✍ Scribed by T.K. Kundu; K. Hanumantha Rao; S.C. Parker

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
608 KB
Volume
377
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Atomistic simulation techniques have been used to calculate the surface structure and stability of wollastonite crystal. Seven predominant surfaces have been modelled and their calculated surface energy corresponds well with their morphological domination. The surface energy, hydration energy and reaction energy values indicate wollastonite surfaces stabilized to great extent by adsorbing water in dissociated form. The Ca 2ΓΎ replacement from the first few layers of the surface is found to be energetically more favourable, elucidating high dissolution phenomena of wollastonite mineral.

πŸ“œ SIMILAR VOLUMES

Atomistic simulation of the self-diffusi
Atomistic simulation of the self-diffusion in Mg (001) surface
✍ Jian-Min Zhang; Hua-Zhi Yu; Ke-Wei Xu πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 228 KB

## Abstract Both the formation energies and the intra‐ and inter‐layer diffuse activation energies of a vacancy in the first six lattice planes of Mg (001) surface have been calculated by combining the modified analytical embedded‐atom method (MAEAM) with molecular dynamics (MD). The results show t