Shape factors and interaction parameters in equations of state Part I. Repulsion phenomena in rigid particle systems
文献信息
An equation of state for the fluid phase of nonattracting rigid particles of arbitrary shape is presented. A particle shape factor is defined and its dependence on the packing fraction is evaluated from Monte Carlo and molecular dynamics simulation results for a variety of nonattracting asymmetric rigid particles, e.g., rigid-sphere polymers, ellipsoids, star particles, spherocylinders.
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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.














