Transient Sorption Models

MembraneBase.rss(sorptionmodel::TransientSorptionModel, step_data::TransientStepData)

Determine how well a model predicts transient sorption by the sum of squared residuals.

fit_transient_sorption_model(
    step_data::TransientStepData, model; custom_initial_params=nothing, interpolation_method=nothing, interpolation_datapoints=1000, 
    uncertainty_method=nothing, num_uncertainty_resamples=20, resampling_mode=false)

Arguments

• step_data::TransientStepData: See TransientStepDatain MembraneBase.jl
• model: Type of transient sorption model to fit the step_data to. Available options are:
  • FickianSorption()
  • BerensHopfenbergSorption()
  • ModifiedBerensHopfenbergSorption()

Optional Arguments

• custom_initial_params::Vector: Vector of initial guesses to start with. Must match the number of parameters in the model.
  • These parameters are linearized in their parameter space. Make sure you understand the linearization of the model parameters before you try to specify custom initial guesses.
• interpolation_method: See resample in TransientStepData.
• interpolation_datapoints::Integer: Number of data points to interpolate to, see above.
• uncertainty_method: currently only supports nothing and the :Bootstrap method of determining uncertainty.
• num_uncertainty_resamples: Number of times to resample for determining the uncertainty of the model fit (if applicable).
  • e.g., for :Bootstrap, this would be the number of times the data is randomly resampled and refit.
• resampling_mode: For internal use with Optim.jl and resampling. Do not modify this value.
  • This will return the linearized parameter fittings in lieu of the normal model objects.

get_diffusivity(model::TransientSorptionModel, semi_thickness_cm::Number)

Get the diffusivity of the polymer described by the transient sorption model.

• The semi-thickness (half of the polymer thickness, in cm) of the polymer used to collect the sorption data is required.

predict_sorption(sorptionmodel::TransientSorptionModel, time_seconds::AbstractVector{<:Number})

Predict the amount of dimensionless sorption that has occurred at time time_seconds according to the transient sorption model.