Computer simulation of chemical potentials of ternary hard-sphere fluid mixtures
文献信息
Alexandr Malijevský, Stanislav Labík, Anatol Malijevský
A new version of the scaled particle Monte Carlo (SP-MC) computer simulation method is proposed. It is used to determine chemical potentials of components of ternary mixtures of additive hard-sphere fluids at several densities and compositions. The results are used to test the chemical potentials given by two literature equations of state (EOS). It has been found that the simulation and EOS’s results are in very good agreement with the new data in this work.
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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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