Set of tools for modelling pervaporation processes
Project description
PyVaporation
This solution is designed specifically to assist Researchers in the field of Pervaporation membranes development. By means of the proposed instrument one can easily model a performance of a particular membrane with known permeance (Pi - GPU, SI, kg/(m2 * h * kPa)) and apparent energy of transport activiation (Ea - J/mol) values for each component of a considered binary mixture, if the transport is considered Ideal (Permeances are not dependent on the mixture composition)
Or, given that the diffusion curve set of a non-ideal process is measured one can model the non-ideal process in isothermal or non-isothermal (adiabatic) mode. Non-isothermal modelling for both type of processes supports self-cooling mode, or temperature program mode.
Following mixtures are Currently built in the solution:
(Current version supports only binary mixtures)
- H2O/MeOH
- H2O/EtOH
- H2O/IPOH
- H2O/Acetic acid
- MeOH/toluene
- MeOH/Methyl-tert-butyl ether
- MeOH/Dimethylcarbonate
- EtOH/Ethyl-tert-butyl ether
Assumptions and applicability
- The activity coefficients of the binary mixture are calculated by means of NRTL model;
- Saturated vapour pressure could be assessed using Antoine or Frost equations
- Vaporisation/Condensation heat values are calculated using Clapeyron-Clausius equation
- Specific heat capcities are calculated using polynomial approximation
- The ideal modelling process is applicable only for the modelling of processes, where permeance values does not depend significantly on mixture composition
- The non-ideal modelling is performed only based on the basis of specified diffusion curves (Fluxes/Permeances of each component as a function of first component concentration in feed)
- Non Ideal modelling supports non-linear dependencies of permeances and activation energies on feed composition
- Non-Isothermal processes support pre-defined temperature program (feed temperature as a function of process time may be specified for process modelling)
Installation
Rquirements:
python 3.7 or higher
To install:
pip install pyvaporation
Code examples
You can run code-examples.ipynb
from github.com/Membrizard/PyVaporation/code-examples.ipynb
in order to check library functionality.
Hints for general usage
- Pre-configured default membranes are located in
./tests/default_membranes
- To run automated tests for all the modules:
python -m pytest -sv tests/
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