Published October 14, 2014 | Version v1
Journal article

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

  • 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)

Description

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

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
141
Journal Issue
14
Journal Page Range
p. 144502-144502.6
ISSN
0021-9606
CODEN
JCPSA6

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
47006029
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
DIFFUSION; FLUIDS; MOLECULAR DYNAMICS METHOD; PHASE TRANSFORMATIONS; SIMULATION
Descriptors DEC
CALCULATION METHODS

Optional Information

Notes
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