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sim21

Open source simulator for typical process/chemical/refinery engineering applications with rigorous thermodynamics. Revival of legacy Sim42 simulator for Python 3 with custom thermodynamics.

Under continual development, breaking changes are to be expected.

Status

  • Nov 11, 2021

    • Not dead yet - Just busy with other things
    • Code requires a significant rewrite
      • Most of the current code moved to a separate 'old' package.
      • All tests still pass

  • Feb 2, 2021

    • Implemented Activity Coefficient Models: NRTL, Wilson with some sample interations

  • Jan 23, 2021

    • Finished implementation of a seperate steam/water Thermo using IFC-97
    • Included example of a very simple steam cycle flowsheet

  • Jan 21, 2021

    • Signficant speed ups in the distillation simulation, now quite fast
    • Other smaller speed-ups
    • Runtime is about 2-3x faster over all examples

  • Jan 20, 2021

    • All example cases now converge with some massaging
    • Fixed a nasty bug that was preventing one phase results in Flash unitops

  • Jan 12, 2021

    • Many more test cases working including PipeSegment
    • All column examples now work with different types of specs including recoveries, deg. of subcooling, etc.

Highlights

  • Independent steam model with high accuracy IFC-97 Steam model

    • Sample steam cycle included in flowsheet examples

  • Many examples with output now available with PR/SRK EOS Thermo:

    • Air Separation Unit (ASU)
    • Natural Gas Separation Train
    • Refrigeration Loops
    • Nitrogen Rejection
    • Compressors/Expanders with given efficiencies and performance curves
    • Many examples of wide and narrow boiling distillation/absorption/stripping (DeC1, DeC2, DeC3s)
    • Towers with pumparounds/efficiencies
    • Superfractionator example with C3= Splitter
    • Ejector
    • Heat Exchangers with multiple sides (Coldboxes)
    • Basic Controllers

  • Cubic EOS Thermodynamics provider is largely complete

    • Additional examples found where the PH-solver fails dramatically - Needs improvement.
    • Implement Newton based solver to speed up flashes
    • No support for critical properties/phase envelopes yet

  • Tower/Distillation Column model is fully functional (Supporting Pumparounds, Bypass, Efficiencies and Side-Strippers)

TODO

  • Support component addition/deletion on the fly
  • Cleanup command line interface
  • Provide Python based alternate interface to run simulator to integrate better with Python ecosystem
  • Revamp web/HTML interface to use for models

Features

  • Updated for Python 3.x and removed major incompatibilities
  • Removed obsolete references and updated to use modern replacements (numpy, scipy)
  • Thermodynamics:
    • Equation of State (EOS)
      • Peng-Robinson (PR) /Soave-Redlich-Kwong (RK)
    • IAPWS97 implementation based on https://github.com/KurtJacobson/XSteam
    • Two-phase flashes for common specifications using inside-out method
  • Builtin database of 400+ common components using ChemSep: http://www.chemsep.com/ database

Next Steps

  • Fully implement basic thermodynamic provider with component database
  • Massive code cleanup (Use snake_case instead of CamelCase, Exception Handling)