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
Melting transition of Lennard-Jones fluid in cylindrical pores.
Chandan K. Das,Jayant K. Singh +1 more
TL;DR: The thermodynamic melting temperature, Tm, is found to oscillate for pore size, R < 8, which is in agreement with the behavior observed for the melting temperature in slit pores, but Tm for almost all pore sizes is less than the bulk case, contrary to the behavior seen for the slit pore.
Journal ArticleDOI
Non-monotonic effect of confinement---Draft \today]{Non-monotonic effect of confinement on the glass transition
Fathollah Varnik,Thomas Franosch +1 more
TL;DR: In this article, the authors discuss how packing effects and short-range attraction may lead to a non-monotonic glass transition scenario in the bulk and analyze confinement effects on the dynamics of fluids using a thermodynamic route which relates the single particle dynamics to the excess entropy.
Journal ArticleDOI
Melting of 1-octadecene inside the pores of open-morphology silica gel: thermodynamic model and experimental studies
K. I. Hnatiuk,Roman Dinzhos,Marin Simeonov,Alexander N. Alekseev,Sergei Alekseev,V. V. Sirko,Yu. F. Zabashta,Neli Koseva,M. M. Lazarenko +8 more
TL;DR: In this paper, a model of crystalline compounds inside the nanopores of open-morphology porous systems was studied on a model system, consisted of 1-octadecene and silica gels with different pore sizes, by means of thermogravimetry, differential scanning calorimetry and powder X-ray diffraction.
Journal ArticleDOI
Structure and dynamics of a silica melt in neutral confinement
TL;DR: It is found that the structural relaxation of viscous silica is slowed down according to a double exponential law when approaching the pore wall, and there is no evidence that the growth of the length scales is affected by a fragile-to-strong transition of the silica melt.
Journal ArticleDOI
Universal L − 3 finite-size effects in the viscoelasticity of amorphous systems
Anthony E. Phillips,Matteo Baggioli,Matteo Baggioli,Timothy W. Sirk,Kostya Trachenko,Alessio Zaccone,Alessio Zaccone +6 more
TL;DR: In this article, a nonaffine response theory for amorphous media is proposed, which takes into account the effects of confinement along one of three spatial dimensions, e.g., the $z$ axis, leading to a infrared cutoff for the modes contributing to the non-affine (softening) correction to the modulus.
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.