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Intermolecular pair potentials in the theoretical description of fluids and fluid mixtures

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Published .
Written in English

Book details:

The Physical Object
Paginationxiii, 143 leaves.
Number of Pages143
ID Numbers
Open LibraryOL24444670M

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Effective intermolecular potentials in theoretical thermodynamics of pure substances and solutions Article in Fluid Phase Equilibria (1) October with 96 Reads How we measure 'reads' 12 Associating fluids and fluid mixtures. The new theory is based on the statistical associating fluid theory for potentials of variable range [A. Gil-Villegas et al., J. Chem. Phys. , /_12_Associating_fluids_and_fluid_mixtures. Analytical Soft-Core Potentials for Macromolecular Fluids and Mixtures: Authors: An analytical description of polymer melts and their mixtures as liquids of interacting soft colloidal particles is obtained from liquid-state theory. Molecular dynamics simulations of soft colloidal particles interacting through the calculated effective   An experimental, theoretical, and molecular simulation consolidated framework for the efficient characterization of the adsorption and fluid-phase behavior of multi-component hydrocarbon mixtures within tight shale rocks is presented. Fluid molecules are described by means of a top-down coarse-grained model where simple Mie intermolecular potentials are parametrized by means of the

  @article{osti_, title = {Thermophysical Properties of Fluids and Fluid Mixtures}, author = {Sengers, Jan V and Anisimov, Mikhail A}, abstractNote = {The major goal of the project was to study the effect of critical fluctuations on the thermophysical properties and phase behavior of fluids and fluid mixtures. Long-range fluctuations appear because of the presence of critical phase   A new theory which accounts for the nonconformality of intermolecular potentials is used to obtain effective potentials which represent accurately the thermodynamic properties of simple and molecular fluids. This approximate nonconformal (ANC) theory introduces a constant softness (S) to incorporate deviations in conformality between the exact angle-averaged effective potential and a Nonspherical Pair Potentials. In practice, often the hard-sphere fluid serves as a reference fluid, because its properties, including the pair correlation function, are well known. Another option is the Lennard-Jones fluid. Both interaction potentials are ://   Expressions for the chemical potentials of the components of gas mixtures and liquid solutions are obtained in terms of relatively simple integrals in the configuration spaces of molecular pairs. The molecular pair distribution functions appearing in these integrals are investigated in some detail, in their dependence upon the composition and density of the ://

Hang, T. and Leland, T.W., A variational principle for fluids with unknown intermolecular potentials. Fluid Phase Equilibria, One of   1 Temperature, pressure and composition corrections for molar thermody-namic properties of non-electrolyte fluids and their mixtures Contributed by Sergey V. Churakov (Centro Swizzero di Calcolo Scientifico (CSCS), Via Cantonale, CH Manno, Switzerland, e-mail: [email protected]) In principle, knowledge of the properties of the reference fluid and its pair-correlation function gR(r) is sufficient to calculate the properties of associating fluids and mixtures. In general, it has been shown (93) that the estimation of gRmust be of high quality in order to obtain accurate ://   In addition to providing a firm theoretical foundation for the corresponding states treatments of Prigogine et al. and Scott, several new approaches to the use of corresponding states in the statistical thermodynamics of mixtures are also presented. In particular, the chemical potentials in binary mixtures of molecules of equal size, and of unequal sizes, are ://