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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DissertationDOI
Protein adsorption on nanostructured silica surfaces
TL;DR: In this paper, the adsorption behavior of globular proteins with nanostructured silica surfaces was studied from pH 2 to 11 and ionic strength until 100 mM.
Book ChapterDOI
Shear Dynamics: Understanding Boundary Slip and Anomalies in the Structural and Dynamical Properties of Liquids Under Flow
TL;DR: In this paper, the authors summarized recent experimental results on structural and dynamical investigations of liquids under flow (including engine oil, polymers and micelles), using a number of different neutron scattering techniques.
Journal ArticleDOI
Structural properties of ice in confinement
Monika Jażdżewska,Monika Jażdżewska,Kamila Domin,Małgorzata Śliwińska-Bartkowiak,A. I. Beskrovnyi,Dorota Chudoba,Dorota Chudoba,T.V. Nagorna,T.V. Nagorna,K. Ludzik,K. Ludzik,D.S. Neov +11 more
TL;DR: In this paper, the effects of confinement of water in carbon nanopores were investigated using differential scanning calorimetry (DSC), dielectric spectroscopy (DS), and neutron diffraction (ND).
Journal ArticleDOI
Crystallization of ammonium perchlorate from solution confined to native and organically modified silica nanopores
TL;DR: In this paper, the crystallization of ammonium perchlorate from a methanol/water solution confined to native and organically modified silica nanopores is analyzed by differential scanning calorimetry.
References
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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.