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Effects of confinement on freezing and melting.

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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 transition

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Journal ArticleDOI

Effect of confinement on the solid-liquid coexistence of Lennard-Jones fluid.

TL;DR: The solid-liquid coexistence of a Lennard-Jones fluid confined in slit pores of variable pore size, H, is studied using molecular dynamics simulations and thermodynamic melting temperature is found to oscillate with wall separation, in agreement with the behavior seen for kinetic melting temperature evaluated in an earlier study.
Book ChapterDOI

Ordered Mesoporous Silica for the Delivery of Poorly Soluble Drugs

TL;DR: In this article, the authors show that adsorption on ordered mesoporous silica (OMS) materials can successfully enhance and control absorption of poorly soluble drugs in various animal species.
Journal ArticleDOI

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface

TL;DR: The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).
Journal ArticleDOI

Solid-State NMR Studies of the Formation of Monomers and Dimers in Stearic Acid Confined in Titanate Nanotubes

TL;DR: In this article, the structure and molecular arrangement of physically trapped stearic acid (SA) inside a titanate nanotube (TiNT) was uncovered by thermal annealing the mixture of SA and the water-washed TiNT.
Journal ArticleDOI

Influence of surface commensurability on the structure and relaxation dynamics of a confined monatomic fluid.

TL;DR: This study reveals that a single-component Lennard-Jones fluid can display, without supercooling, complex relaxation dynamics with signatures of a fluid approaching a glass transition upon confinement at constant temperature.
References
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Journal ArticleDOI

Helical microtubules of graphitic carbon

Sumio Iijima
- 01 Nov 1991 - 
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

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

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.
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