diff --git a/docs/src/eos/saft.md b/docs/src/eos/saft.md index e04547585..6b9670ca2 100755 --- a/docs/src/eos/saft.md +++ b/docs/src/eos/saft.md @@ -45,4 +45,9 @@ Clapeyron.DAPT ```@docs Clapeyron.CPA Clapeyron.sCPA +``` + +## Miscellaneous Models +```@docs +Clapeyron.COFFEE ``` \ No newline at end of file diff --git a/src/models/SAFT/COFFEE/COFFEE.jl b/src/models/SAFT/COFFEE/COFFEE.jl index 09930a600..0f45fc471 100644 --- a/src/models/SAFT/COFFEE/COFFEE.jl +++ b/src/models/SAFT/COFFEE/COFFEE.jl @@ -17,6 +17,40 @@ default_references(::Type{COFFEE}) = ["10.1063/1.5111364","10.1063/1.5136079"] default_locations(::Type{COFFEE}) = ["COFFEE"] default_ignore_missing_singleparams(::Type{COFFEE}) = ["dipole"] +""" + COFFEEModel <: SAFTVRMieModel + + COFFEE(components; + idealmodel = BasicIdeal, + userlocations = String[], + ideal_userlocations = String[], + reference_state = nothing, + verbose = false, + assoc_options = AssocOptions()) + +## Input parameters +- `Mw`: Single Parameter (`Float64`) - Molecular Weight `[g/mol]` +- `segment`: Single Parameter (`Float64`) - Number of segments (no units) +- `sigma`: Single Parameter (`Float64`) - Segment Diameter [`A°`] +- `epsilon`: Single Parameter (`Float64`) - Reduced dispersion energy `[K]` +- `k`: Pair Parameter (`Float64`) (optional) - Binary Interaction Paramater (no units) +- `epsilon_assoc`: Association Parameter (`Float64`) - Reduced association energy `[K]` +- `bondvol`: Association Parameter (`Float64`) - Association Volume `[m^3]` +## Model Parameters +- `Mw`: Single Parameter (`Float64`) - Molecular Weight `[g/mol]` +- `segment`: Single Parameter (`Float64`) - Number of segments (no units) +- `sigma`: Pair Parameter (`Float64`) - Mixed segment Diameter `[m]` +- `epsilon`: Pair Parameter (`Float64`) - Mixed reduced dispersion energy`[K]` +- `epsilon_assoc`: Association Parameter (`Float64`) - Reduced association energy `[K]` +- `bondvol`: Association Parameter (`Float64`) - Association Volume +## Input models +- `idealmodel`: Ideal Model +## Description +Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE) +## References +1. Langenbach, K. (2017). Co-Oriented Fluid Functional Equation for Electrostatic interactions (COFFEE). Chemical Engineering Science, 174, 40-55 (2017). [doi:10.1016/j.ces.2017.08.025](https://doi.org/10.1016/j.ces.2017.08.025) +""" +COFFEE export COFFEE function transform_params(::Type{COFFEE},params,components)