Improved estimation of PC-SAFT equation of state parameters using a multi-objective variable-weight cost function

Fuenzalida, Martín; Cuevas‐Valenzuela, José

doi:10.1016/j.fluid.2016.07.001

Cited by 10 publications

(7 citation statements)

References 61 publications

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“…Results are shown in Table 6, always with the literature parameters. 1,2,53 Pure component parameters calculated by us (Table 6) were plotted (see Figure 14) for the molecular consistency test. Results show that the correlation of alcohol parameters obtained by us has an SD of 0.87 and 0.03 and literature parameters 2 had an SD of 0.60 and 0.04, respectively (see Figure 14A and B).…”

Section: Predictionsmentioning

confidence: 99%

“…A multiobjective function such as the sum of the values of individual goals was used to minimize the molar densities and the vapor pressure data. ,− The standard deviation, the mean absolute deviation, as well as the mean percentual deviations were also calculated for comparison purposes. Results are shown in Table , always with the literature parameters. ,, …”

Section: Predictionsmentioning

confidence: 99%

“…Therefore, there are obvious similarities in both results. However, it should be noted that data used by us to obtain the parameters have greater dispersion, since direct data T , p i 0 have been used, while the constants cited in the literature ,, were found using data obtained from the correlations of the vapor pressures.…”

Section: Predictionsmentioning

confidence: 99%

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Measurement and Modelization of VLE for Butyl Acetate with Methanol, Ethanol, 1-Propanol, and 1-Butanol. Experimental Data at 0.15 MPa

et al. 2018

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Vapor–liquid equilibrium at 0.15 MPa for binary mixtures of butyl acetate with methanol, ethanol, 1-propanol, and 1-butanol has been measured. The thermodynamic consistency was verified with the Redlich–Kister test, the Herington test, the direct Van Ness test, and the point-to-point test. Azeotropic data was found for the butyl acetate + 1-butanol binary system at 0.15 MPa. Modeling of binary systems was obtained by employing the group contribution models (ASOG and different versions of UNIFAC) and the perturbed chain-statistical associating fluid theory equation of state.

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Section: Predictionsmentioning

confidence: 99%

Section: Predictionsmentioning

confidence: 99%

See 1 more Smart Citation

Measurement and Modelization of VLE for Butyl Acetate with Methanol, Ethanol, 1-Propanol, and 1-Butanol. Experimental Data at 0.15 MPa

et al. 2018

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“…Parameter estimation for associating fluids with association models still presents a challenge. People have tried different types of objective functions, different properties in the objective function or data of mixture as a guidance [9,[35][36][37][38][39][40][41][42]. In this work, the most traditional objective function is used, i.e.…”

Section: Parameter Estimationmentioning

confidence: 99%

Matching the critical point of associating fluids with the Cubic Plus Association equation of state

Peng

Chen

Luo

et al. 2020

Fluid Phase Equilibria

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“…When several local minima are present, instead of local solvers, solvers that search a larger parameter space have been used. 33,47,48 To explore a larger area of the parameter space and obtain a compromise between several properties, multiobjective optimization 31,33,49,50 has also been applied. Others have tried exploring the impact of adding more purecomponent thermodynamic data such as vaporization enthalpies, heat capacities, speeds of sound, and surface tensions to improve the quality of the fit.…”

Section: Introductionmentioning

confidence: 99%

Confidence-Interval and Uncertainty-Propagation Analysis of SAFT-type Equations of State

Walker,

Mueller,

Smirnova

2023

J. Chem. Eng. Data

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Thermodynamic models and, in particular, Statistical Associating Fluid Theory (SAFT)-type equations, are vital in characterizing complex systems. This paper presents a framework for sampling parameter distributions in PC-SAFT and SAFT-VR Mie equations of state to examine parameter confidence intervals and correlations. Comparing the equations of state, we find that additional parameters introduced in the SAFT-VR Mie equation increase relative uncertainties (1%−2% to 3%−4%) and introduce more correlations. These correlations can be attributed to conserved quantities such as particle volume and interaction energy. When incorporating association through additional parameters, relative uncertainties increase further while slightly reducing correlations between parameters. We also investigate how uncertainties in parameters propagate to the predicted properties from these equations of state. While the uncertainties for the regressed properties remain small, when extrapolating to new properties, uncertainties can become significant. This is particularly true near the critical point where we observe that properties dependent on the isothermal compressibility observe massive divergences in the uncertainty. We find that these divergences are intrinsic to these equations of state and, as a result, will always be present regardless of how small the parameter uncertainties are.

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Improved estimation of PC-SAFT equation of state parameters using a multi-objective variable-weight cost function

Cited by 10 publications

References 61 publications

Measurement and Modelization of VLE for Butyl Acetate with Methanol, Ethanol, 1-Propanol, and 1-Butanol. Experimental Data at 0.15 MPa

Measurement and Modelization of VLE for Butyl Acetate with Methanol, Ethanol, 1-Propanol, and 1-Butanol. Experimental Data at 0.15 MPa

Matching the critical point of associating fluids with the Cubic Plus Association equation of state

Confidence-Interval and Uncertainty-Propagation Analysis of SAFT-type Equations of State

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