Zobrazeno 1 - 10
of 259
pro vyhledávání: '"Odriozola, G."'
Publikováno v:
J. Chem. Phys. 143, 024504 (2015)
It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the corresponding tempe
Externí odkaz:
http://arxiv.org/abs/1507.03537
Following previous work (JCP 134, 201103 (2011)), the replica exchange Monte Carlo technique is used to produce the equation of state of hard 1:5 aspect-ratio oblate ellipsoids for a wide density range. Here, in addition to the analytical approximati
Externí odkaz:
http://arxiv.org/abs/1107.5765
We implemented the replica exchange Monte Carlo technique to produce the equation of state of hard 1:5 aspect-ratio oblate ellipsoids for a wide density range. For this purpose, we considered the analytical approximation of the overlap distance given
Externí odkaz:
http://arxiv.org/abs/1105.2789
Publikováno v:
The Journal of Chemical Physics 134, 154702 (2011)
The thermodynamic properties of strong short-range attractive Yukawa fluids, k=10, 9, 8, and 7, are determined by combining the slab technique with the standard and the replica exchange Monte Carlo (REMC) methods. A good agreement was found among the
Externí odkaz:
http://arxiv.org/abs/1103.5718
Publikováno v:
Phys. Rev. Lett. 97, 018102 (2006)
Monte Carlo simulations were employed to study two charged rods confined between two unlike charged plates, all immersed in a model electrolyte. Recently, it was shown that two rods immersed in a multivalent counterion solution may show attraction (P
Externí odkaz:
http://arxiv.org/abs/1010.3244
Publikováno v:
J. Phys.: Condens. Matter 18 S2335 (2006)
Monte Carlo simulations were employed to study two negative rods confined between two parallel plates. The system is immersed in a 1-1 restricted primitive model electrolyte. Ion distributions and forces per unit of area (pressures) on rods and plate
Externí odkaz:
http://arxiv.org/abs/1010.3243
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 to study the interlaminar distance as a function of water and ethane co
Externí odkaz:
http://arxiv.org/abs/physics/0511094
Autor:
Odriozola, G., Aguilar, J. F.
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 mimic
Externí odkaz:
http://arxiv.org/abs/physics/0511081
Autor:
Odriozola, G., Aguilar, J. F.
Classic simulations are used to study interlayer structure, swelling curves, and stability of Ca-montmorillonite hydrates. For this purpose, NPzzT$ and MuPzzT ensembles are sampled for ground level and given burial conditions. For ground level condit
Externí odkaz:
http://arxiv.org/abs/physics/0510158
Publikováno v:
In Journal of Molecular Liquids 15 April 2018 256:480-488
