Journal ArticleDOI
Effects of confinement on freezing and melting.
Christiane Alba-Simionesco,Benoit Coasne,Gilberte Dosseh,G. Dudziak,Keith E. Gubbins,Ravi Radhakrishnan,Malgorzata Sliwinska-Bartkowiak +6 more
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Both simple and more complex adsorbates that are confined in various environments (slit or cylindrical pores and also disordered porous materials) are considered and how confinement affects the glass transition is addressed.Abstract:
We present a review of experimental, theoretical, and molecular simulation studies of confinement effects on freezing and melting We consider both simple and more complex adsorbates that are confined in various environments (slit or cylindrical pores and also disordered porous materials) The most commonly used molecular simulation, theoretical and experimental methods are first presented We also provide a brief description of the most widely used porous materials The current state of knowledge on the effects of confinement on structure and freezing temperature, and the appearance of new surface-driven and confinement-driven phases are then discussed We also address how confinement affects the glass transitionread more
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Symmetry breaking in confined fluids
Eli Ruckenstein,Gersh O. Berim +1 more
TL;DR: The recent progress in the theoretical investigation of the symmetry breaking for classical and quantum fluids is reviewed, focusing on the conditions which cause symmetry breaking in the density distribution for one component fluids and binary mixtures confined in a closed nanoslit between identical solid walls.
Book
Rheology and Dynamics of Simple and Complex Liquids in Mesoporous Matrices
TL;DR: In this paper, a study of rheologic and dynamic properties of fluids confined in an isotropic pore network with pore radii of ∼ 5 nm embedded in a monolithic silica matrix (porous Vycor®) is presented.
Journal ArticleDOI
Pressure Profile for an Associating Lennard-Jones Fluid Confined in a Spherical Cavity.
TL;DR: The aggregation state and related properties of an associating LJ fluid within a confinement of nanoscale can be efficiently regulated by the association interaction.
Journal ArticleDOI
Voltage induced pressure in porous electrodes
Kenji Kiyohara,Kinji Asaka +1 more
TL;DR: In this article, the authors performed Monte Carlo simulation of the primitive model for a range of pore size and voltage in order to study the thermodynamic behaviors in porous electrodes and their relations to the ionic structure in the pores.
Journal ArticleDOI
Dynamic properties of quasi-confined colloidal hard-sphere liquids near the glass transition
TL;DR: In this article, a mode-coupling theory of the glass transition is proposed for quasi-confined liquids, where periodic boundary conditions along the confining direction restore translational invariance.
References
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Helical microtubules of graphitic carbon
TL;DR: Iijima et al. as mentioned in this paper reported the preparation of a new type of finite carbon structure consisting of needle-like tubes, which were produced using an arc-discharge evaporation method similar to that used for fullerene synthesis.
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Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.
Journal ArticleDOI
Equation of state calculations by fast computing machines
TL;DR: In this article, a modified Monte Carlo integration over configuration space is used to investigate the properties of a two-dimensional rigid-sphere system with a set of interacting individual molecules, and the results are compared to free volume equations of state and a four-term virial coefficient expansion.
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Computer Simulation of Liquids
Michael P. Allen,D. J. Tildesley +1 more
TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.