openCOSMO-RS-Phi extends openCOSMO-RS to a full equation of state by adding a free-volume pseudo-component, fits four parameters per compound to vapor-pressure and liquid-volume data, and matches the accuracy of the prior COSMO-SAC-Phi model on benchmark databases while remaining fully open-source.
Vapor–liquid equilibrium prediction at high pressures using activity coefficients at infinite dilution from COSMO-type methods
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2026 1verdicts
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Extension of openCOSMO-RS Into a Full Open-Source Equation of State: Implementation, Parameterization, and Benchmarking
openCOSMO-RS-Phi extends openCOSMO-RS to a full equation of state by adding a free-volume pseudo-component, fits four parameters per compound to vapor-pressure and liquid-volume data, and matches the accuracy of the prior COSMO-SAC-Phi model on benchmark databases while remaining fully open-source.