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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On the Fluctuations that Order and Frustrate Liquid Water
TL;DR: In this paper, a detailed theory for the early stages of coarsening is developed and used to explain the peculiar observation of a transient second liquid state of water, which is the result of the formation of a glassy states of water.
Journal ArticleDOI
Melting Behavior of Bromobenzene within Carbon Nanotubes
TL;DR: Jazdzewska et al. as mentioned in this paper reported experimental results on the melting behavior of a dipolar substance, bromobenzene, adsorbed in multiwalled carbon nanotubes (MWNTs) of (2.4, 4.0 and 10) nm inner diameter.
Journal ArticleDOI
Molecular ordering of the discotic liquid crystal HAT6 confined in mesoporous solids
TL;DR: In this paper, an optical polarimetry study of the orientational order of a discotic liquid crystal (DLC), 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene (HAT6), confined into parallel-aligned cylindrical nanochannels of mesoporous alumina, silica, and silicon membranes as a function of temperature and channel radius (3.4-21.0
Journal ArticleDOI
Confined effect of water solution of ciprofloxacin in carbon nanotubes studied by Raman and Fourier Transform Infrared Spectroscopy methods
Natalia Przybylska,Małgorzata Śliwińska-Bartkowiak,Mikołaj Kościński,Konrad Rotnicki,Marek Bartkowiak,Stefan Jurga +5 more
TL;DR: In this article, the properties of water solution of ciprofloxacin confined in single wall carbon nanotubes were analyzed using FT-IR spectroscopy to define the structure of confined CiproFLoxacIN.
Journal ArticleDOI
Altered polar character of nanoconfined liquid water
TL;DR: In this paper, the authors investigated the dielectric properties of nanoconfined water and observed a dependence of the effective static Dielectric constant of water with the confinement while the total dipole moment relaxation appears largely independent of it.
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.
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.
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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.