Comparison of SAFT-VR-Mie and CP-PC-SAFT in predicting phase behavior of associating systems I. Ammonia–water, methanol, ethanol and hydrazine
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.05.112
Abstract: Abstract This study evaluates the accuracy of SAFT-VR-Mie coupled with the new association treatment of Dufal et al. [Mol. Phys. 113 (2015) 948] and CP-PC-SAFT in modeling ammonia(1)–water(2), –methanol(2), –ethanol(2) and –hydrazine(2) systems and the… read more here.
Keywords: methanol ethanol; water methanol; saft; ammonia water ... See more keywords
Comparison of SAFT-VR-Mie and CP-PC-SAFT in predicting phase behavior of associating systems II. Ammonia – Hydrocarbons
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2018.08.098
Abstract: Abstract This study compares the accuracies of CP-PC-SAFT and CS-SAFT-VR-Mie in the entirely predictive estimation of the available data on ammonia-hydrocarbon systems. The nitrogen(1) – ammonia(2) and R1234yf(1) – ammonia(2) systems are considered as well.… read more here.
Keywords: phase behavior; saft; predicting phase; saft mie ... See more keywords
Modeling Polymer Glass Transition Properties from Empirical Monomer Data with the SAFT-γ Mie Force Field
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DOI: 10.1021/acs.macromol.8b01734
Abstract: We apply a recently developed coarse-graining method to build models for polyester polyols, versatile polymers with applications in coatings, by combining models for the component monomers. This strategy employs the corresponding states correlation to the… read more here.
Keywords: force field; saft mie; glass transition;
Solubility of water in mixtures of (n-alkanes + n-perfluoroalkanes) and in n-perfluoroalkylalkanes: experiments and modelling with the SAFT-γ Mie group-contribution approach
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DOI: 10.1080/00268976.2021.1910743
Abstract: The solubility of water in liquid n-perfluorohexane and in an equimolar mixture of n-hexane + n-perfluorohexane is experimentally determined as a function of temperature. The solubility of water in the equimolar mixture is significantly higher… read more here.
Keywords: water; saft mie; group; solubility ... See more keywords