A generic equation of state for the hard-sphere fluid incorporating the high density limit
文献情報
Leonid V. Yelash, Thomas Kraska
Based on an analysis of the virial coefficients of some hard-sphere fluid models a generic equation for the hard-sphere fluid is developed. This equation reproduces the correct high density limit. The generic equation provides the basis of a hierarchy of hard-sphere terms for different levels of simplification. As a result of this investigation a new hard-sphere term is developed by a simple linear regression of the virial coefficients in suitable coordinates. This term accurately represents the virial coefficients from B2 to B10 and gives the nearly correct pole packing fraction.
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Physical Chemistry Chemical Physics

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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