Stability of K-montmorillonite hydrates: Hybrid MC simulations
Chemical Physics
2007-05-23 v1
Abstract
NPzzT and MuPzzT simulations of K-montmorillonite hydrates were performed employing hybrid Monte Carlo simulations. Two condition sets were studied, P=1 atm and T= 300 K (ground level conditions), and P=600 atm and T= 394 K; this last condition mimics a burial depth close to 4 km. For these conditions, swelling curves as a function of the reservoir water vapor pressure were built. We found the single layer K-montmorillonite hydrate stable for high vapor pressures for both, burial and ground level conditions. A simple explanation for this high stability is given.
Keywords
Cite
@article{arxiv.physics/0511081,
title = {Stability of K-montmorillonite hydrates: Hybrid MC simulations},
author = {G. Odriozola and J. F. Aguilar},
journal= {arXiv preprint arXiv:physics/0511081},
year = {2007}
}
Comments
11 pages, 11 figures