Python Scripts for: The Steam Barrier as a Design Constraint in Carbon Capture: Pathways to Low-Temperature Regeneration
Citation Link: https://doi.org/10.15480/882.17320
Type
Software
Version
1
Date Issued
2026-06-16
Language
English
TORE-DOI
Abstract
The Python scripts accompannying the publication: The steam barrier as a design constraint in carbon capture: pathways to low-temperature regeneration, submitted to Chemical Engineering and Processing - Process Intensification is presented here.
The following scripts are included:
Davies.py - it calculates the chemical and gas-liquid equilibrium using the semi-empirical Davies activity coefficient model.
Debye_Hückel.py - it calculates the chemical and gas-liquid equilibrium using the Debye Hückel activity coefficient model.
Ideal.py - it calculates the chemical and gas-liquid equilibrium assuming an ideal liquid phase.
contour_creation.py - iterates accross different parameter values to create the contour plots of Figure 4 in the main article.
water_exergy_vs_T_vs_p.py - performs the exergy calculations.
The following scripts are included:
Davies.py - it calculates the chemical and gas-liquid equilibrium using the semi-empirical Davies activity coefficient model.
Debye_Hückel.py - it calculates the chemical and gas-liquid equilibrium using the Debye Hückel activity coefficient model.
Ideal.py - it calculates the chemical and gas-liquid equilibrium assuming an ideal liquid phase.
contour_creation.py - iterates accross different parameter values to create the contour plots of Figure 4 in the main article.
water_exergy_vs_T_vs_p.py - performs the exergy calculations.
Subjects
carbon capture
pH-swing
carbonic anhydrase
low-temperature desorption
DDC Class
660.2: Chemical Engineering
Funding(s)
More Funding Information
This project is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – SFB 1615 – 503850735.
License