skip to main content

SciTech ConnectSciTech Connect

Title: High pressure induced phase transition and superdiffusion in anomalous fluid confined in flexible nanopores

The behavior of a confined spherical symmetric anomalous fluid under high external pressure was studied with Molecular Dynamics simulations. The fluid is modeled by a core-softened potential with two characteristic length scales, which in bulk reproduces the dynamical, thermodynamical, and structural anomalous behavior observed for water and other anomalous fluids. Our findings show that this system has a superdiffusion regime for sufficient high pressure and low temperature. As well, our results indicate that this superdiffusive regime is strongly related with the fluid structural properties and the superdiffusion to diffusion transition is a first order phase transition. We show how the simulation time and statistics are important to obtain the correct dynamical behavior of the confined fluid. Our results are discussed on the basis of the two length scales.
Authors:
 [1] ; ;  [2]
  1. Campus Caçapava do Sul, Universidade Federal do Pampa, Caixa Postal 15051, CEP 96570-000, Caçapava do Sul, RS (Brazil)
  2. Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970, Porto Alegre, RS (Brazil)
Publication Date:
OSTI Identifier:
22436586
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 14; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DIFFUSION; FLUIDS; MOLECULAR DYNAMICS METHOD; PHASE TRANSFORMATIONS; SIMULATION