392 research outputs found

    The unified picture for the classical laws of Batschinski and the rectilinear diameter for molecular fluids

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    The explicit relations between the thermodynamic functions of the Lattice Gas model and the fluid within the framework of approach proposed earlier in [V. L. Kulinskii, J. Phys. Chem. B \textbf{114} 2852 (2010)] are derived. It is shown that the Widom line serves as the natural border between the gas-like and the liquid-like states of the fluid. The explanation of the global cubic form of the binodal for the molecular liquids is proposed and the estimate for the amplitude of the binodal opening is obtained.Comment: 16 pages, 5 figure

    Jamming and percolation of parallel squares in single-cluster growth model

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    This work studies the jamming and percolation of parallel squares in a single-cluster growth model. The Leath-Alexandrowicz method was used to grow a cluster from an active seed site. The sites of a square lattice were occupied by addition of the equal size k×kk \times k squares (E-problem) or a mixture of k×kk \times k and m×mm \times m (mkm \leqslant k) squares (M-problem). The larger k×kk \times k squares were assumed to be active (conductive) and the smaller m×mm \times m squares were assumed to be blocked (non-conductive). For equal size k×kk \times k squares (E-problem) the value of pj=0.638±0.001p_j = 0.638 \pm 0.001 was obtained for the jamming concentration in the limit of kk\rightarrow\infty. This value was noticeably larger than that previously reported for a random sequential adsorption model, pj=0.564±0.002p_j = 0.564 \pm 0.002. It was observed that the value of percolation threshold pcp_{\mathrm{c}} (i.e., the ratio of the area of active k×kk \times k squares and the total area of k×kk \times k squares in the percolation point) increased with an increase of kk. For mixture of k×kk \times k and m×mm \times m squares (M-problem), the value of pcp_{\mathrm{c}} noticeably increased with an increase of kk at a fixed value of mm and approached 1 at k10mk\geqslant 10m. This reflects that percolation of larger active squares in M-problem can be effectively suppressed in the presence of smaller blocked squares.Comment: 11 pages, 9 figure

    On the origin of C₆₀ fullerene solubility in aqueous solution

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    In this work, we report that the surface hydroxylation of C₆₀ molecules is the most likely mechanism for pristine C₆₀ fullerenes/C₆₀ fullerene aggregate stabilization in water, being independent of the method of C₆₀ fullerene aqueous solution preparatio

    Non-uniform liquid in external field

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    To calculate the density profile of a liquid in an external field, it is necessary to consider the density as a functional of the system\u27s chemical potential, i.e. the correlation effects must be investigated. On the basis of a statistical-mechanical calculation, the authors obtained an expansion of the liquid density into a series of moments of correlation functions of different orders. The expression for the liquid density profile was obtained as a sum of local and correlation terms. The correlation term has been calculated within the Ornstein-Zernike approximation in the vicinity of the critical point. It is shown that this term decreases the total variation of density by about 10%
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