Multi-criteria Optimization for Parameterization of SAFT-type Equations of State for Water
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DOI: 10.1002/aic.15857
Abstract: Finding appropriate parameter sets for a given equation of state to describe different properties of a certain substance is an optimization problem with conflicting objectives. Such problem is commonly addressed by single-criteria optimization in which… read more here.
Keywords: state; multi criteria; water; saft ... See more keywords
Theoretical and experimental study of physicochemical behavior of binary mixtures: SAFT and PC-SAFT models
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DOI: 10.1007/s12039-019-1630-9
Abstract: The type and magnitude of interactions between diisobutyl ketone (DIBK) and a homologous series of 2-alkanols (2-propanol up to 2-pentanol) are studied in this paper using density and viscosity data. Studies have been carried out… read more here.
Keywords: binary mixtures; experimental study; theoretical experimental; saft ... See more keywords
Application of the modified Group-Contribution Perturbed-Chain SAFT to branched alkanes, n-olefins and their mixtures
Sign Up to like & getrecommendations! Published in 2017 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2016.12.006
Abstract: Abstract A new empirical approach has been developed to estimate parameters of the modified Group Contribution Perturbed-Chain statistical associating fluid theory (mg-SAFT) for alkane and alkene isomers. A key advantage of this approach is that… read more here.
Keywords: chain; saft; group contribution; group ... See more keywords
Application of the modified group-contribution PC-SAFT to nitrile and their mixtures
Sign Up to like & getrecommendations! Published in 2017 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2017.07.017
Abstract: Abstract The modified group-contribution PC-SAFT (NguyenHuynh, Fluid Phase Equilibria 2016, 430, 33–46) is applied to simultaneously predict vapor-liquid and liquid-liquid equilibria of nitrile + alkane mixtures (from n-butane to n-hexadecane) using a single temperature-independent binary interaction parameters.… read more here.
Keywords: modified group; saft; group contribution; contribution saft ... See more keywords
Predicting the phase equilibria of esters/alcohols mixtures and biodiesel density from its fatty acid composition using the modified group-contribution PC-SAFT
Sign Up to like & getrecommendations! Published in 2018 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2018.05.017
Abstract: Abstract An empirical approach proposed recently (Fluid Phase Equilibria, 434 (2017) 176–192) to distinguish different isomer molecules is extended in this paper aiming to apply for alkyl-esters. The vapor pressure, saturated liquid density of heavy… read more here.
Keywords: phase equilibria; saft; fatty acid; density ... See more keywords
A theoretically modified PC-SAFT equation of state for predicting asphaltene onset pressures at low temperatures
Sign Up to like & getrecommendations! Published in 2019 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2019.04.037
Abstract: Abstract This paper presents a modified perturbed chain-statistical association fluid theory (mod-PC-SAFT EoS) obtained by including into PC-SAFT the second-order dispersion term developed originally by Zhang [Fluid Phase Equilibria, 154 (1999) 1–10] for pure components.… read more here.
Keywords: asphaltene onset; onset pressures; theoretically modified; saft ... See more keywords
Nucleation rates of water using Adjusted SAFT-0 EOS
Sign Up to like & getrecommendations! Published in 2019 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2019.112272
Abstract: Abstract The SAFT-0 is an equation of state (EOS) that considers the effects of molecular association based on the statistical association fluid theory (SAFT). This EOS recently showed relatively successful calculations of the phase-equilibrium properties… read more here.
Keywords: saft; saft eos; nucleation rates; water ... See more keywords
Modelling phase behavior of triglycerides, diglycerides and monoglycerides related to biodiesel transesterification in mixtures of alcohols and CO2 using a polar version of PC-SAFT
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DOI: 10.1016/j.fluid.2019.112303
Abstract: Abstract Soh et al. [1] showed that one can achieve high conversion (98%) of triglycerides to fatty acid methyl esters at 95 °C when carbon dioxide (CO2) is used as a co-solvent to enhance mixing of the… read more here.
Keywords: phase; saft; co2; phase behavior ... See more keywords
Quenched solid density functional theory coupled with PC-SAFT for the adsorption modeling on nanopores
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DOI: 10.1016/j.fluid.2020.112700
Abstract: Abstract Density functional theory (DFT) models appear as tools for modeling the phenomenon of adsorption in nano-confinement environments. The challenges of DFT approaches are to take the acuity observed in molecular simulation with a notably… read more here.
Keywords: functional theory; adsorption; saft; density functional ... See more keywords
Wax precipitation modelling using Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT)
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DOI: 10.1016/j.fluid.2020.112911
Abstract: Abstract Wax precipitation is one of the most challenging flow assurance problems because of its ability to create restrictions to flow inside wellbores, pipelines, and some production facilities. Inaccuracy in predictions of wax appearance temperature… read more here.
Keywords: wax; microscopy; fluid; saft ... See more keywords
Prediction of second order derivative thermodynamic properties of ionic liquids using SAFT-VR Morse equation of state
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DOI: 10.1016/j.fluid.2021.113204
Abstract: Abstract The variable range statistical associating fluid theory (SAFT-VR) equation of state (EoS) based on the Morse potential was used to describe the second order derivative thermodynamic properties of ionic liquids. The isothermal compressibility coefficient,… read more here.
Keywords: coefficient; saft; ionic liquids; saft morse ... See more keywords