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of 150
pro vyhledávání: '"Hribar-Lee B"'
Autor:
Mlakar, T., Hribar-Lee, B.
Publikováno v:
Condensed Matter Physics, 2021, Vol.24, No.3, 33606: 1-8
The replica Ornstein-Zernike equations for an electrolyte adsorbed in a charged, disordered matrix were applied to a model, where both subsystems consisted of points carrying a single (positive or negative) charge. While the system as a whole was ele
Externí odkaz:
http://arxiv.org/abs/2110.04589
Publikováno v:
Condensed Matter Physics, 2021, Vol.24, No.3, 33503: 1-12
Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model. The intramolecular structure of the H$_2$O molecule is well reproduced by the model
Externí odkaz:
http://arxiv.org/abs/2110.04549
Publikováno v:
Condens. Matter Phys., 2016, vol. 19, No. 1, 13004
By means of Monte Carlo computer simulations in the isothermal-isobaric ensemble, we investigated the interaction of a hydrophobic ligand with the hydrophobic surfaces of various curvatures (planar, convex and concave). A simple two-dimensional model
Externí odkaz:
http://arxiv.org/abs/1603.02163
Publikováno v:
Condens. Matter Phys., 2015, vol. 18, No. 1, 13004
Molecular dynamics simulations with separate thermostats for rotational and translational motions were used to study the effects of these degrees of freedom on the structure of water at a fixed density. To describe water molecules, we used the SPC/E
Externí odkaz:
http://arxiv.org/abs/1504.00810
Autor:
Lukšič, M., Hribar-Lee, B.
Publikováno v:
Condens. Matter Phys., 2013, vol. 16, No. 4, 43803:1-8
We compared the results of the Madden-Glandt (MG) integral equation approximation for partly-quenched systems with the commonly accepted formalism of Given and Stell (GS). The system studied was a +1:-1 restricted primitive model (RPM) electrolyte co
Externí odkaz:
http://arxiv.org/abs/1312.4872
Autor:
Hribar-Lee, B., Pizio, O.
Publikováno v:
Condens. Matter Phys., 2013, vol. 16, No. 4, 43607:1-10
Very recently the effect of equisized charged hard sphere solutes in a mixture with core-softened fluid model on the structural and thermodynamic anomalies of the system has been explored in detail by using Monte Carlo simulations and integral equati
Externí odkaz:
http://arxiv.org/abs/1312.4566
Publikováno v:
Condens. Matter Phys., 2012, vol. 15, No. 2, 23802:1-12
Distribution of a two component electrolyte mixture between the model adsorbent and a bulk aqueous electrolyte solution was studied using the replica Ornstein-Zernike theory and the grand canonical Monte Carlo method. The electrolyte components were
Externí odkaz:
http://arxiv.org/abs/1207.3280
Publikováno v:
Condens. Matter Phys., 2011, vol. 14, No. 3, 33003: 1-15
Accuracy of the mean activity coefficient expression (Hansen-Vieillefosse-Belloni equation), valid within the hypernetted chain (HNC) approximation, was tested in a wide concentration range against new Monte Carlo (MC) data for +1:-1 and +2:-2 primit
Externí odkaz:
http://arxiv.org/abs/1202.4259
Akademický článek
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Publikováno v:
In Chemical Physics Letters 2008 450(4):281-285
