New equations of state for pure and binary hard-sphere fluids

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Publication Date
DOI 10.1039/A902831E
Impact Factor 3.676
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Abstract

An equation of state for one-component fluids of hard spheres is proposed. The equation has the form of the Pade′ approximant of the rescaled virial series and uses the first seven virial coefficients. The equation is superior to the Carnahan–Starling, the Erpenbeck–Wood and the Kolafa equations of state. It is shown that its accuracy is almost the same as the precision of recent simulation data. The same general form of the equation is used for binary additive mixtures of hard spheres. The equation utilizes known virial coefficients up to the fifth as functions of the mole fraction and the sphere diameter ratio. Comparisons with Monte Carlo computer simulation data show that the equation is more accurate than the Boublík–Mansoori–Carnahan–Starling–Leland and similar equations of state at fluid packing fractions up to η=0.49. Possible extensions and applications of the proposed equations are discussed.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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