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physics.chem-ph2005
Na-montmorillonite hydrates under ethane rich reservoirs: NPzzT and MuPzzT simulations
G. Odriozola, J. F. Aguilar, J. López-Lemus
Na-montmorillonite hydrates in presence of ethane molecules are studied by means of hybrid Monte Carlo simulations in the NPzzT and MuPzzT ensembles. The NPzzT ensemble allows us t…
physics.chem-ph2005
Stability of K-montmorillonite hydrates: Hybrid MC simulations
G. Odriozola, J. F. Aguilar
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 le…