Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Planková Barbora"'
Publikováno v:
EPJ Web of Conferences, Vol 114, p 02011 (2016)
Development of methods for accurate modeling of phase interfaces is important for understanding various natural processes and for applications in technology such as power production and carbon dioxide separation and storage. In particular, prediction
Externí odkaz:
https://doaj.org/article/38a67457813a45d6b17f3dc6a1224a3e
Publikováno v:
EPJ Web of Conferences, Vol 114, p 02136 (2016)
In our previous study [Planková et al., EPJWeb. Conf. 92, 02071 (2015)], several molecular simulations of vapor-liquid phase interfaces for pure water were performed using the DL_POLY Classic software. The TIP4P/2005 molecular model was successfully
Externí odkaz:
https://doaj.org/article/6717ff2c71a24d7490009aec91754af2
Publikováno v:
EPJ Web of Conferences, Vol 92, p 02013 (2015)
The paper describes molecular dynamics study of nucleation of water in NVE ensemble. The numerical simulation was performed with the DL_POLY. The metastable steam consisting of 10976 water molecules with TIP4P/2005 potential was driven on the desired
Externí odkaz:
https://doaj.org/article/fbbdbca3e98148508fd3dd0d9820e95f
Publikováno v:
EPJ Web of Conferences, Vol 92, p 02071 (2015)
Molecular dynamics simulations for water were run using the TIP4P/2005 model for temperatures ranging from 250 K to 600 K. The density profile, the surface tension and the thickness of the phase interface were calculated as preliminary results. The s
Externí odkaz:
https://doaj.org/article/3c352b6fdaf5438aad8160b2034113ca
Publikováno v:
EPJ Web of Conferences, Vol 67, p 02129 (2014)
The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) equation of state has been used for modeling the surface tension of associating fluids represented by a series of six alkanols ranging from methanol to
Externí odkaz:
https://doaj.org/article/44b46bc6a9dc498ebae10bb0a438c6d3
Publikováno v:
EPJ Web of Conferences, Vol 45, p 01076 (2013)
In this work, we used the density gradient theory (DGT) combined with the cubic equation of state (EoS) by Peng and Robinson (PR) and the perturbed chain (PC) modification of the SAFT EoS developed by Gross and Sadowski [1]. The PR EoS is based on ve
Externí odkaz:
https://doaj.org/article/5cb05ce29ab64f6386646451f2b84d9a
Publikováno v:
EPJ Web of Conferences, Vol 25, p 02028 (2012)
The study presents some preliminary results of the density gradient theory (GT) combined with two different equations of state (EoS): the classical cubic equation by van der Waals and a recent approach based on the statistical associating fluid theor
Externí odkaz:
https://doaj.org/article/1e943f1f911541e1b754d781ec0c2905
Publikováno v:
B. Plankov\'a, V. Vin\v{s}, J, Hrub\'y, J. Chem. Phys. 147, 164702 (2017)
Homogeneous droplet nucleation has been studied for almost a century but has not yet been fully understood. In this work, we used the density gradient theory (DGT) and considered the influence of capillary waves (CW) on the predicted size-dependent s
Externí odkaz:
http://arxiv.org/abs/1705.07588
Publikováno v:
Journal of Chemical Physics; 10/28/2017, Vol. 147 Issue 16, p1-14, 14p
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