Update Docs and Readme

README.md

@@ -1,42 +1,22 @@
 [![Dev][docs-stable-img]][docs-stable-url] [![Dev][docs-dev-img]][docs-dev-url] [![Build Status][build-img]][build-url]
 
+<p align="center">
+  <img width="150px" src="docs/src/assets/logo.svg">
+</p>
+
 # EntropyScaling.jl
 
 Transport property modeling based on entropy scaling and equations of state (EOS).
 
-This package provides methods to model 
+This package provides models for 
 - 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. 
-
-$$Y^{\rm s} = Y^{\rm s}\left(s_{\rm conf}\right).$$
+- diffusion coefficients.
 
-Entropy scaling enables the prediction of transport porperties in all fluid phases based on 
-few experimental data.
+The documentation of the package can be found [here][docs-dev-url].
 
-The following entropy scaling methods are implemented:
-- [Entropy Scaling Framework](https://doi.org/10.1016/j.molliq.2023.123811)
-
-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][docs-stable-url].
+For the EOS calculations, additional packages need to be imported. Alternatively, custom EOS
+functions might be defined. Implementations of EOS models are *not* included in this package.
 
 ## Installation
 
@@ -50,7 +30,24 @@ Then, the module can be loaded by
 using EntropyScaling
 ```
 
-## Example
+## Examples
+
+**Chapman-Enskog viscosity of methane**
+
+```julia
+using EntropyScaling
+
+# Parameters from Poling et al. (2001)
+σ = 3.758e-10                   # size parameter ([σ] = m)
+ε = 148.6*EntropyScaling.kB     # energy parameter ([ε] = J)
+Mw = 16.0425e-3                 # molar mass ([Mw] = kg/mol)
+
+# Calculate gas viscosity of methane at 300 K
+T = 300.
+η = viscosity_CE(T, Mw, σ, ε)
+```
+
+**Fitting a new entropy scaling model**
 
 ```julia
 using EntropyScaling, Clapeyron

docs/src/index.md

@@ -19,4 +19,10 @@ $$Y^{\rm s} = Y^{\rm s}\left(s_{\rm conf}\right).$$
 Entropy scaling enables the prediction of transport porperties in all fluid phases based on 
 few experimental data.
 
+## Installation
+
+## Available Transport Property Models
+
+## Compatible EOS Model Packages
+
 ...

docs/src/models.md

@@ -1,12 +1,45 @@
 # Models
 
-...
+```@index
+Pages = ["models.md"]
+```
 
-## Entropy Scaling Framework
+## Chapman-Enskog Models
 
-### Overview
+Chapman-Enskog models for transport properties at the zero-density limit based on the kinetic gas theory.
 
-### Examples
+"""@docs
+EntropyScaling.ChapmanEnskogModel
+"""
 
-### References
+## Entropy Scaling Models
 
+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.
+
+### Available Models
+
+"""@docs
+EntropyScaling.FrameworkModel
+EntropyScaling.RefpropRESModel
+"""
+
+### Fitting Entropy Scaling Parameters
+
+*[Work in progress]*
+
+Some entropy scaling models allow the fitting of substance-specific parameters to experimental data.
+Therefore, a unified interface is provided including the handling of the data and the fit options.
+
+**Fitting Procedure**
+
+1. Loading experimental data
+2. Fitting
+3. Plotting results and saving the parameters
+
+**Example**

docs/src/transport_properties.md

@@ -1 +1,8 @@
-# Transport Properties
+# Transport Properties
+
+"""@docs
+EntropyScaling.viscosity
+EntropyScaling.thermal_conductivity
+EntropyScaling.self_diffusion_coefficient
+EntropyScaling.MS_diffusion_coefficient
+"""

src/general/chapman_enskog.jl

@@ -20,6 +20,10 @@ function ChapmanEnskogModel(comps::String, σ::Float64,ε::Float64,Mw::Float64;c
 end
 Base.length(model::AbstractChapmanEnskogModel) = length(model.Mw)
 
+# TODO add references (LTD style)
+# TODO make CE also a models and use default functions `viscosity(...)` etc.
+# TODO add LJ parameters from Poling to database
+
 """
     viscosity_CE(model::ChapmanEnskogModel, T, z=[1.])