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- W3082782893 abstract "Abstract Phasepy is a Python based package for fluid phase equilibria and interfacial properties calculation from equation of state (EoS). Phasepy uses several tools (i.e., NumPy, SciPy, Pandas, Matplotlib) allowing use Phasepy under Jupyter Notebooks. Phasepy models phase equilibria with the traditional ϕ – γ and ϕ – ϕ approaches, where ϕ (fugacity coefficient) can be modeled as a perfect gas, virial gas or EoS fluid, whereas γ (activity coefficient) can be described by conventional models (NRTL, Wilson, Redlich‐Kister expansion, and the group contribution modified‐UNIFAC). Interfacial properties are based on the square gradient theory couple to ϕ – ϕ approach. The available EoSs are the cubic EoS family extended to mixtures through the quadratic, modified‐Huron‐Vidal, and Wong‐Sandler mixing rules. Phasepy allows to analyze phase stability, compute phase equilibria, interfacial properties, and optimize their parameters for vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria for multicomponent mixtures. Phasepy implementation, and robustness are illustrated for binary and ternary mixtures." @default.
- W3082782893 created "2020-09-08" @default.
- W3082782893 creator A5075491753 @default.
- W3082782893 creator A5080912583 @default.
- W3082782893 date "2020-09-01" @default.
- W3082782893 modified "2023-09-23" @default.
- W3082782893 title "Phasepy: A Python based framework for fluid phase equilibria and interfacial properties computation" @default.
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- W3082782893 doi "https://doi.org/10.1002/jcc.26405" @default.
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