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Locally constrained optimization of PC-SAFT parameters for reliable group contribution predictions of associating fluids

https://doi.org/10.2139/ssrn.6889083
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inferredcites →https://doi.org/10.1002/aic.690401011openalex-snapshot
New group contribution method for estimating properties of pure compounds
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Comparative study of eight cubic equations of state for predicting thermodynamic properties of alkanes
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Phase stability analysis using the PC-SAFT equation of state and the tunneling global optimization method
inferredcites →https://doi.org/10.1016/j.ces.2005.05.041openalex-snapshot
Application of the simplex simulated annealing technique to nonlinear parameter optimization for the SAFT-VR equation of state
inferredcites →https://doi.org/10.1016/j.coche.2019.04.007openalex-snapshot
Group contribution-based property estimation methods: advances and perspectives
inferredcites →https://doi.org/10.1016/j.fluid.2004.06.038openalex-snapshot
Group contribution method with SAFT EOS applied to vapor liquid equilibria of various hydrocarbon series
inferredcites →https://doi.org/10.1016/j.fluid.2004.10.003openalex-snapshot
Application to binary mixtures of a group contribution SAFT EOS (GC-SAFT)
inferredcites →https://doi.org/10.1016/j.fluid.2005.10.009openalex-snapshot
Application of group contribution SAFT equation of state (GC-SAFT) to model phase behaviour of light and heavy esters
inferredcites →https://doi.org/10.1016/j.fluid.2006.07.006openalex-snapshot
Applications of the simplified perturbed-chain SAFT equation of state using an extended parameter table
inferredcites →https://doi.org/10.1016/j.fluid.2007.05.009openalex-snapshot
Modeling phase equilibria of alkanols with the simplified PC-SAFT equation of state and generalized pure compound parameters
inferredcites →https://doi.org/10.1016/j.fluid.2009.04.003openalex-snapshot
Analysis and applications of a group contribution sPC-SAFT equation of state
inferredcites →https://doi.org/10.1016/j.fluid.2012.06.004openalex-snapshot
Long chain multifunctional molecules with GC-PPC-SAFT: Limits of data and model
inferredcites →https://doi.org/10.1016/j.fluid.2012.11.031openalex-snapshot
Extension of the PC-SAFT based group contribution method for polymers to aromatic, oxygen- and silicon-based polymers
inferredcites →https://doi.org/10.1016/j.fluid.2016.07.001openalex-snapshot
Improved estimation of PC-SAFT equation of state parameters using a multi-objective variable-weight cost function
inferredcites →https://doi.org/10.1016/j.fluid.2017.09.029openalex-snapshot
Modeling solubility of CO 2 in aqueous monoethanolamine (MEA) solution using SAFT-HR equation of state
inferredcites →https://doi.org/10.1016/j.fluid.2021.113024openalex-snapshot
PρT parameterization of SAFT equation of state: developing a new parameterization method for equations of state
inferredcites →https://doi.org/10.1016/j.fluid.2022.113635openalex-snapshot
A predictive group-contribution framework for the thermodynamic modelling of CO 2 absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: New data and SAFT- γ Mie parameters
inferredcites →https://doi.org/10.1016/j.fluid.2022.113674openalex-snapshot
Group-contribution SAFT equations of state: A review
inferredcites →https://doi.org/10.1016/j.ijrefrig.2014.09.007openalex-snapshot
Liquid density prediction of five different classes of refrigerant systems (HCFCs, HFCs, HFEs, PFAs and PFAAs) using the artificial neural network-group contribution method
inferredcites →https://doi.org/10.1016/j.jcou.2019.09.010openalex-snapshot
Performance of non-aqueous amine hybrid solvents mixtures for CO2 capture: A study using a molecular-based model
inferredcites →https://doi.org/10.1016/j.supflu.2010.10.023openalex-snapshot
Equations of state: From the ideas of van der Waals to association theories
inferredcites →https://doi.org/10.1021/acs.iecr.4c01785openalex-snapshot
Nonaqueous Alkanolamine-Based Carbon Capture Systems: Modeling Alkanolamine/CO2/Organic Cosolvent Systems in s-SAFT-γ Mie
inferredcites →https://doi.org/10.1021/acs.jced.0c00684openalex-snapshot
Multiobjective Optimization of PCP-SAFT Parameters for Water and Alcohols Using Surface Tension Data
inferredcites →https://doi.org/10.1021/acs.jced.4c00265openalex-snapshot
Measurements and Equation of State Modeling of the Density of Five 1-Alcohols (C6–C10) at Pressures of up to 120 MPa
inferredcites →https://doi.org/10.1021/ie0003887openalex-snapshot
Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules
inferredcites →https://doi.org/10.1021/ie00104a021openalex-snapshot
New reference equation of state for associating liquids
inferredcites →https://doi.org/10.1021/ie010954dopenalex-snapshot
Application of the Perturbed-Chain SAFT Equation of State to Associating Systems
inferredcites →https://doi.org/10.1021/ie0206103openalex-snapshot
Extension of the Cubic-Plus-Association Equation of State to Glycol−Water Cross-Associating Systems
inferredcites →https://doi.org/10.1021/ie048832jopenalex-snapshot
Application of the Cubic-Plus-Association (CPA) Equation of State to Cross-Associating Systems
inferredcites →https://doi.org/10.1021/ie0710768openalex-snapshot
A Predictive Group-Contribution Simplified PC-SAFT Equation of State: Application to Polymer Systems
inferredcites →https://doi.org/10.1021/ie4023786openalex-snapshot
Group-Contribution Method with Proximity Effect for PC-SAFT Molecular Parameters. 2. Application to Association Parameters: Primary Alcohols and Amines
inferredcites →https://doi.org/10.1021/ie502203wopenalex-snapshot
Comparison between a Homo- and a Heterosegmented Group Contribution Approach Based on the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
inferredcites →https://doi.org/10.1021/ie901181nopenalex-snapshot
Vapor−Liquid Equilibria of Acid Gas−Aqueous Ethanolamine Solutions Using the PC-SAFT Equation of State
inferredcites →https://doi.org/10.1021/ie901992kopenalex-snapshot
Modeling of Vapor−Liquid Equilibria for CO2 + 1-Alkanol Binary Systems with the PC-SAFT Equation of State Using Polar Contributions
inferredcites →https://doi.org/10.1021/ie970242gopenalex-snapshot
A Group Contribution Estimation of the Thermodynamic Properties of Polymers
inferredcites →https://doi.org/10.1021/jp303051jopenalex-snapshot
Influence of Cyclic Dimer Formation on the Phase Behavior of Carboxylic Acids
inferredcites →https://doi.org/10.1126/science.1176731openalex-snapshot
Amine Scrubbing for CO 2 Capture
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