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
Reads0
Chats0
TLDR
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
Citations
More filters
Journal ArticleDOI
Ferroelectric Phase Behaviors in Porous Electrodes.
TL;DR: It is found that porous electrodes of which the pore size is close to the size of the electrolyte ions can show ferroelectric phase behaviors in some conditions by Monte Carlo simulations of simple models.
Journal ArticleDOI
Cryoporometry in Femtoliter Volumes by Confocal Raman Spectroscopy.
TL;DR: A method based on confocal Raman spectroscopy to quantify porosity using a cryoporometric approach and shows the expected reciprocal dependence of the average phase transition point with pore size, as well as the typical hysteresis between the freezing and melting transitions.
Journal ArticleDOI
Solidification of the Lennard-Jones fluid near a wall in thermohydrodynamic lubrication
TL;DR: The thermohydrodynamic lubrication of the Lennard-Jones (LJ) fluid in plain wall channels is investigated by using a molecular-dynamics simulation and it is found that the LJ fluid solidifies near the wall when the viscous heating of the L J fluid in the bulk regime is sufficiently large.
Book ChapterDOI
Nanoporous Materials and Confined Liquids
TL;DR: In this article, the synthesis, structure and functional properties of each of these groups are discussed and the altered properties of confined phases also form the basis for two important techniques to characterize nanoporous materials: physisorption and thermoporometry.
References
More filters
Journal ArticleDOI
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.
Journal ArticleDOI
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.
Book
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.