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pw0908 committed Oct 30, 2024
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5 changes: 5 additions & 0 deletions docs/src/eos/saft.md
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Expand Up @@ -45,4 +45,9 @@ Clapeyron.DAPT
```@docs
Clapeyron.CPA
Clapeyron.sCPA
```

## Miscellaneous Models
```@docs
Clapeyron.COFFEE
```
34 changes: 34 additions & 0 deletions src/models/SAFT/COFFEE/COFFEE.jl
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Expand Up @@ -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)
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