EntropyScaling.jl

Transport property modeling based on entropy scaling and equations of state (EOS).

This package provides methods to model

• the viscosity,
• the thermal conductivity, and
• diffusion coefficients

in a physically sound way. For the EOS calculations, additional packages need to be imported. Alternatively, custom EOS functions can be defined. Implementations of EOS models are not included in this package.

Entropy scaling makes use of the fact that transport properies can be scaled such that the scaled transport property $Y^{\rm s}$ is a univariate function of the configurational (or residual) entropy $s_{\rm conf}$, i.e.

$$Y^{\rm s} = Y^{\rm s}\left(s_{\rm conf}\right).$$

Entropy scaling enables the prediction of transport porperties in all fluid phases based on few experimental data.

The following entropy scaling methods are implemented:

• Entropy Scaling Framework

All methods are based on empirical parameters fitted to experimental data of the respective transport property. If no parameters are given for a specific substance, the workflow for most methods is the following:

1. Creating the entropy scaling model: Fitting of empirical parameters to experimental data.
2. Calculating transport properties: Evaluating the entropy scaling model at any fluid state point. In general, parameters are not transferable between different EOS models, i.e. for they should only be used (in step 2) in combination with the EOS which was also used for fitting the parameters (in step 1).

The documentation of the package can be found here.

Installation

The package can be installed by:

Pkg> add EntropyScaling

Package mode can reached by typing ] in REPL. Then, the module can be loaded by

using EntropyScaling

Example

using EntropyScaling, Clapeyron

# Load sample data
(T_exp,ϱ_exp,η_exp) = EntropyScaling.load_sample_data()
data = ViscosityData(T_exp, [], ϱ_exp, η_exp, :unknown)

# Create EOS model
eos_model = PCSAFT("butane")

# Create entropy scaling model (fit of parameters)
model = FrameworkModel(eos_model, [data])

# Calculation of the viscostiy at state
p = 0.1e6                                       # Pa
T = 300.                                        # K
η = viscosity(model, p, T)