PypeDREAM is a port of my original process engineering library MiniSim (https://github.com/Nukleon84/MiniSim). This project is intended to be a test to learn how to program a Python package.

With a direct port, MiniSim will no longer rely on pythonnet and .net datatypes and can be run on any platform that supports Python.

The PypeDREAM package is a collection of Python modules that can be used to simulate stationary chemical processes using mass- and energy balances. The library includes a basic implementation of the IKCAPE Thermodynamics and a handful of simple unit operations. The resulting equation system is solved simulatenously using a Newton-type solver.

This program was build for fun and the enjoyment of exploring process simulation tools. It was heavily inspired by the PhD thesis of K.-H. Lau and G. Varma. These two doctoral thesises were written in the early 90ies and explore the possibility of an object-oriented flowsheet simulator. Now, nearly 25 years later modern software development tools make it possible for even a single person to write such an application.

Development of a process simulator using object oriented programming: Information modeling and program structure Gadiraju V. Varma https://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=11354&context=rtd

Development of a process simulator using object oriented programming: Numerical procedures and convergence studies Kheng Hock Lau https://lib.dr.iastate.edu/cgi/viewcontent.cgi?article=11324&context=rtd

The thermodynamics methods implemented in this libary are part of the IKCAPE thermodynamics. I reimplemented the equations in my own modeling framework. I also use the neutral input format described in their user guide as an input format. http:https://dechema.de/en/IK_CAPE+THERMO-p-40.html

• Expression Trees

  • Arithmetic Expressions [x]
  • Trigonometric Expressions [x]
  • Special Functions [x]
  • Min/Max Expressions [x]
  • Forward-Mode Automatic Differentiation [x]

• Unit Of Measures [x]

• Numerics

  • Scalar Newton-Raphson [x]
  • Scalar Bisection [x]
  • Newton-Raphson Solver [x]
  • Dulmage Mendelsohn Decomposition [ ]

• Thermodynamics:

  • Substances [x]
  • PropertyPackages [x]
  • Flash Routines [ ]
  • IKCAPE Neutral File Importer [ ]
  • ChemSep Database Adapter [ ]

• Flowsheeting

  • MaterialStream [ ]
  • Basic Unit Operations [ ]
  • Distillation Column [ ]
  • Reactor [ ]
  • Rate-based Distillation [ ]

• Dynamic Simulation ? (under consideration)

  • Backwards Euler Integrator [ ]
  • BDF2 Integrator with Adaptive Stepsize [ ]

This library is currently under development and no package is published yet.

It is my goal to use as few dependencies as possible to make installation of the package as easy as possible. As this library is intended for learning/teaching, some numeric features are implemented from scratch.

• NumPy
• SciPy