pathsim-chem 0.2.8

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.

Features

• 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
• Process Unit Operations — CSTR, counter-current heat exchanger, flash drum, and distillation tray blocks with full ODE dynamics
• Tritium Processing — GLC columns, TCAP cascades, bubblers, and splitters for tritium separation

Install

pip install pathsim-chem

License

MIT