Uncertainty in the prediction of the thermophysical behavior of new halogenated working fluids

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@article{05d3045da72b416ab1c7579dbd63d337,
title = "Uncertainty in the prediction of the thermophysical behavior of new halogenated working fluids",
abstract = "Halogenated olefins can be an attractive alternative to working fluids that are under consideration for phase-out. In order to evaluate the potential of halogenated olefins as working fluids for organic Rankine cycle units with a realistic perspective it is necessary to predict both their primary thermophysical properties and their associated uncertainties. In this work we evaluated the uncertainty of two predictive models, based on the classical group contribution approach and on neural networks, for the critical temperature, critical pressure, acentric factor, and ideal gas heat capacity of halogenated substances. Based on this, guidelines for the most convenient model depending on the property and the fluid molecular structure were provided. The non-linear propagation of the uncertainty through the Peng-Robinson equation of state for the simulation of an organic Rankine cycle unit were also studied. The results suggest that the uncertainty of the predicted properties is highly dependent on the molecular structure for the classical model. The propagation of uncertainties in the simulation of an organic Rankine cycle unit also depends on the saturation properties of the fluid.",
keywords = "Uncertainty propagation, Thermophysical properties, Halogenated working fluids, Peng-robinson equation of state, Monte Carlo simulation",
author = "Mondejar, {Maria E.} and J{\'e}r{\^o}me Frutiger and Stefano Cignitti and Jens Abildskov and G{\"u}rkan Sin and Woodley, {John M.} and Fredrik Haglind",
year = "2019",
doi = "10.1016/j.fluid.2018.12.020",
language = "English",
volume = "485",
pages = "220--233",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier B.V.",

}

RIS

TY - JOUR

T1 - Uncertainty in the prediction of the thermophysical behavior of new halogenated working fluids

AU - Mondejar, Maria E.

AU - Frutiger, Jérôme

AU - Cignitti, Stefano

AU - Abildskov, Jens

AU - Sin, Gürkan

AU - Woodley, John M.

AU - Haglind, Fredrik

PY - 2019

Y1 - 2019

N2 - Halogenated olefins can be an attractive alternative to working fluids that are under consideration for phase-out. In order to evaluate the potential of halogenated olefins as working fluids for organic Rankine cycle units with a realistic perspective it is necessary to predict both their primary thermophysical properties and their associated uncertainties. In this work we evaluated the uncertainty of two predictive models, based on the classical group contribution approach and on neural networks, for the critical temperature, critical pressure, acentric factor, and ideal gas heat capacity of halogenated substances. Based on this, guidelines for the most convenient model depending on the property and the fluid molecular structure were provided. The non-linear propagation of the uncertainty through the Peng-Robinson equation of state for the simulation of an organic Rankine cycle unit were also studied. The results suggest that the uncertainty of the predicted properties is highly dependent on the molecular structure for the classical model. The propagation of uncertainties in the simulation of an organic Rankine cycle unit also depends on the saturation properties of the fluid.

AB - Halogenated olefins can be an attractive alternative to working fluids that are under consideration for phase-out. In order to evaluate the potential of halogenated olefins as working fluids for organic Rankine cycle units with a realistic perspective it is necessary to predict both their primary thermophysical properties and their associated uncertainties. In this work we evaluated the uncertainty of two predictive models, based on the classical group contribution approach and on neural networks, for the critical temperature, critical pressure, acentric factor, and ideal gas heat capacity of halogenated substances. Based on this, guidelines for the most convenient model depending on the property and the fluid molecular structure were provided. The non-linear propagation of the uncertainty through the Peng-Robinson equation of state for the simulation of an organic Rankine cycle unit were also studied. The results suggest that the uncertainty of the predicted properties is highly dependent on the molecular structure for the classical model. The propagation of uncertainties in the simulation of an organic Rankine cycle unit also depends on the saturation properties of the fluid.

KW - Uncertainty propagation

KW - Thermophysical properties

KW - Halogenated working fluids

KW - Peng-robinson equation of state

KW - Monte Carlo simulation

U2 - 10.1016/j.fluid.2018.12.020

DO - 10.1016/j.fluid.2018.12.020

M3 - Journal article

VL - 485

SP - 220

EP - 233

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

ER -