Chemical engineering blocks for PathSim
Documentation • PathSim Homepage • GitHub
PathSim-Chem extends the PathSim simulation framework with blocks for chemical engineering and thermodynamic property calculations. All blocks follow the standard PathSim block interface and can be connected into simulation diagrams.
- IK-CAPE Thermodynamics — 50+ blocks implementing the DECHEMA IK-CAPE standard for thermodynamic property calculations
- Pure Component Correlations — Antoine, Wagner, Kirchhoff, Rackett, Aly-Lee, DIPPR, and 10 more temperature-dependent property correlations
- Mixing Rules — Linear, quadratic, Lorentz-Berthelot, and other calculation-of-averages rules for mixture properties
- Activity Coefficients — NRTL, Wilson, UNIQUAC, and Flory-Huggins models for liquid-phase non-ideality
- Equations of State — Peng-Robinson and Soave-Redlich-Kwong cubic EoS with mixture support
- Fugacity Coefficients — EoS-based and virial equation fugacity calculations
- Excess Enthalpy & Departure — NRTL, UNIQUAC, Wilson, Redlich-Kister excess enthalpy and EoS departure functions
- Chemical Reactions — Equilibrium constants, kinetic rate constants, and power-law rate expressions
- Tritium Processing — GLC columns, TCAP cascades, bubblers, and splitters for tritium separation
pip install pathsim-chemMIT