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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(More)
We report both experimental measurements and molecular simulations of the melting and freezing behavior of simple fluids in porous media. The experimental studies are for carbon tetrachloride and nitrobenzene in controlled pore glass (CPG) and Vycor. Differential scanning calorimetry (DSC) was used to determine the melting point in the porous materials for(More)
Using molecular simulations and free energy calculations based on Landau theory, we show that freezing/melting behavior of fluids of small molecules in pores of simple geometry can be understood in terms of two main parameters: the pore width H* ͑expressed as a multiple of the diameter of the fluid molecule͒ and a parameter ␣ that measures the ratio of the(More)
We report experimental measurements of the melting and freezing behavior of fluids in nano-porous media. The experimental studies are for nitrobenzene in the silica based pores of controlled pore glass (CPG), Vycor and MCM-41. Dielectric relaxation spectroscopy was used to determine melting points and the orientational relaxation times of the nitrobenzene(More)
The capability of a phthalocyanine-based voltammetric electronic tongue to analyze strong alcoholic beverages has been evaluated and compared with the performance of spectroscopic techniques coupled to chemometrics. Nalewka Polish liqueurs prepared from five apple varieties have been used as a model of strong liqueurs. Principal Component Analysis has(More)
We report an experimental and simulation study of binary mixtures of o-and m-nitrotoluene with decane and hexadecane. Mixtures of o-nitrotoluene with alkanes form a classical critical mixtures, but m-nitrotoluene / n – alkane mixtures show an apparent critical point, which lies in a metastable, experimentally inaccessible state, below the melting point,(More)
Molecular simulation studies of chemical equilibrium for several reactions in pores of slit-like and cylindrical geometry have shown a significant effect of the confinement on the equilibrium compositions, with differences of several orders of magnitude with respect to the bulk fluid phase in some cases. As a first step towards the calculation of rate(More)
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