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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Thermodynamics at microscales： 3D→2D, 1D and 0D
Kun Dong,Feng Huo,Suojiang Zhang +2 more
TL;DR: In this article, the thermodynamics of nano-confinement and quantum thermodynamics are summarized to illustrate their developments at the microscales, and the laws of traditional thermodynamics face challenges when science is growing rapidly toward the microscale world, even quantum hypothesis.
Journal ArticleDOI
Mesoporous Silica as a Carrier for Amorphous Solid Dispersion
Smruti P. Chaudhari,Anshul Gupte +1 more
TL;DR: The use of porous media like mesoporous silica has been investigated as a potential means to increase the solubility of poorly soluble drugs and to stabilize the amorphous drug delivery system as mentioned in this paper.
Journal ArticleDOI
Melting of Naphthalene Confined in Mesoporous Silica MCM-41
TL;DR: In this article, the 2H nuclear magnetic resonance (NMR) solid-echo spectra of naphthalene molecules as guests in the mesopores of neat MCM-41 with a pore width of 3.3 nm were measured in the temperature regime from 180 to 250 K.
Journal ArticleDOI
Inclusion of Phase-Change Materials in Submicron Silica Capsules Using a Surfactant-Free Emulsion Approach.
TL;DR: This work reports on a facile approach to enclose paraffin in mechanically strong submicron silica capsules without the addition of any classical organic surfactants, offering a low-cost, highly scalable, and environmentally friendly process for microencapsulation of parAffin phase-change materials.
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Improving thermal properties of shape-stabilized phase change materials containing lauric acid and mesocellular foam silica by assessing thermodynamic properties of the non-melting layer
TL;DR: In this article, the synthesis of form stable or shape-stabilized materials using lauric acid as the melting phase through solventless methods employing solid or liquid fatty acid was investigated by thermogravimetry coupled with differential thermal analysis, differential scanning calorimetry, small-and wide-angle X-ray diffraction and infrared spectroscopy.
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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.
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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.