Extension of openCOSMO-RS into a full open-source equation of state: Implementation, parameterization, and benchmarking

2026/06/30 by Jan Markgraf, D.G. Lisboa Girardi, Irina Smirnova +1

paper · doi:10.1016/j.fluid.2026.114820

published in Fluid Phase Equilibria 612, 114820 (Elsevier BV)

crossref created 2026/07/24 · crossref deposited 2026/08/07 · crossref indexed 2026/08/07 · crossref issued 2027/01/01 · crossref published 2027/01/01 · crossref published-print 2027/01/01

Citations

• Comparative Study of Phase Equilibrium Modeling with Cubic and Association Equations of State
• Understanding the language of molecules: Predicting pure component parameters for the PC-SAFT equation of state from SMILES
• Understanding the language of molecules: predicting pure component parameters for the PC-SAFT equation of state from SMILES
• An open source COSMO-RS implementation and parameterization supporting the efficient implementation of multiple segment descriptors
• Generating a Machine-learned Equation of State for Fluid Properties
• Toward a COSMO equation-of-state model of fluids and their mixtures
• Application of the Perturbed-Chain SAFT Equation of State to Associating Systems
• An Equation of State for Associating Fluids
• New reference equation of state for associating liquids
• SAFT: Equation-of-state solution model for associating fluids
• A New Two-Constant Equation of State
• Equilibrium constants from a modified Redlich-Kwong equation of state
• A Simplex Method for Function Minimization