CubicEoS.jl: Extensible, Open-Source Isothermal Phase Equilibrium Calculations for Fluids

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CubicEoS.jl: Extensible, Open-Source Isothermal Phase Equilibrium Calculations for Fluids

P. 59–73.

Zakharov S., Pisarev V.

We present open-source software for isochoric isothermal phase equilibrium calculation of fluids extensible on custom equations of state. We demonstrate robustness of the solvers by calculation of binodals and equilibrium parameters for a number of mixtures modelled by a cubic and a SAFT-family equations of state. Additionally, we consider multi-threaded computation of a phase diagram. The solvers are based on quasi-Newton minimization of Helmholtz free energy. The software is written in Julia language, and we discuss language features making it favorable for computational thermophysics problems.

Language: English

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Supercomputing: 9th Russian Supercomputing Days, RuSCDays 2023, Moscow, Russia, September 25–26, 2023, Revised Selected Papers, Part I

Springer, 2023.

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