Please use this identifier to cite or link to this item: http://www.repositorio.ufop.br/handle/123456789/7028
Title: A simple model for solute–solvent separation through nanopores based on core-softened potentials.
Authors: Vasconcelos, Cláudia Karina Barbosa de
Batista, Ronaldo Junio Campos
Régis, McGlennon da Rocha
Manhabosco, Taíse Matte
Oliveira, Alan Barros de
Keywords: Solute – solvent separation
Molecular dynamics
Water desalination
Reverse osmosis
Issue Date: 2016
Citation: VASCONCELOS, C. K. B. de et al. A simple model for solute–solvent separation through nanopores based on core-softened potentials. Physica. A, v. 453, p. 184, 2016. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0378437116002016>. Acesso em: 07 ago. 2016.
Abstract: We propose an effective model for solute separation from fluids through reverse osmosis based on core-softened potentials. Such potentials have been used to investigate anomalous fluids in several situations under a great variety of approaches. Due to their simplicity, computational simulations become faster and mathematical treatments are possible. Our model aims to mimic water desalination through nano-membranes through reverse osmosis, for which we have found reasonable qualitative results when confronted against all-atoms simulations found in the literature. The purpose of this work is not to replace any fully atomistic simulation at this stage, but instead to pave the first steps towards coarsegrained models for water desalination processes. This may help to approach problems in larger scales, in size and time, and perhaps make analytical theories more viable
URI: http://www.repositorio.ufop.br/handle/123456789/7028
ISSN: 03784371
metadata.dc.rights.license: O Periódico Physica A: Statistical Mechanics and its Applications concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300944248
Appears in Collections:DEFIS - Artigos publicados em periódicos

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