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
Total neutron scattering study of supercooled CO2 confined in an ordered mesoporous carbon
K.L. Stefanopoulos,Christos Tampaxis,Andreas Sapalidis,Fotios K. Katsaros,Tristan G. A. Youngs,Daniel T. Bowron,Theodore Steriotis +6 more
TL;DR: In this paper, the molecular structure and phase behavior of carbon dioxide confined in an ordered mesoporous carbon (CMK-3) are investigated by total neutron scattering with in situ adsorption and cooling/heating cycles.
Journal ArticleDOI
Crystallization and fusion behaviors, observed by adiabatic calorimetry, of benzene confined in silica mesopores with uniform diameters
TL;DR: It was confirmed, from the observed spontaneous heat-release or -absorption effects, that there exists a non-crystallizing amorphous component of confined benzene, as reported previously, and the fusion enthalpy as a function of inverse pore-diameter dependence decreases steeply in the range of 60-10 nm in diameter while gradually in therange around 5 nm.
Journal ArticleDOI
Model liquid crystalline dimers in a slit pore: Monte Carlo simulation study
TL;DR: In this paper, the authors present results from (isobaric-isothermal) Monte Carlo Simulation studies of liquid crystalline dimer systems confined in a slit pore, and show that the results are similar to the results of the simulation presented in this paper.
Journal ArticleDOI
Microstructure and Characterization of Capric-stearic Acid/Modified Expanded Vermiculite Thermal Storage Composites
TL;DR: In this paper, a novel capric-stearic acid eutectic (CA-SA)/OEV FS-PCM with high thermal storage capacity was developed.
Journal ArticleDOI
Disruption of Hydrogen-Bonding Network Eliminates Water Anomalies Normally Observed on Cooling to Its Calorimetric Glass Transition.
TL;DR: Thermodynamic and relaxation peculiarities exhibited by pure water on cooling to its glass transition, such as the existence of the TH and TS, must be associated specifically with the hydrogen-bonding network.
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.