Online training on 3P-sim software: november 10th 2022

Online training on 3P-sim software: November 10th 2022

The target groups of the one-day training are users of the 3P sim software. Below you will find a short program, you can register at the bottom of the page. The training will be led by Dr. Andreas Möller. If you already have questions, you can send them to us in advance so that they can be addressed during the training.

Recommended working materials

PC or laptop with an external monitor (optimal resolution: 1680×1050) and office package, 3P sim software with dongle, examples and training materials

The training materials are included in the price of 350 € (excl. VAT) and will be provided digitally before the event.

Registration deadline

October 28th 2022


Introduction (PowerPoint)

  • Description of aim and purpose of 3P sim software package
  • Introduction and Overview about thermodynamic models for fitting of pure component isotherms
  • Introduction into predictive calculations of mixture equilibria, based on pure component data
  • Purpose of dynamic simulation and presentation of the used material and energy balances

Working with the software (3P sim with training documents and some examples)


  • Selection of a thermodynamic model, based on isotherm type. Fitting of pure component data
  • Fitting of an overall model on three isotherms at different temperatures, role of reference temperature
  • Calculation of mixture equilibria from pure component models
  • Selection of the right mixture model
  • Modeling of binary and ternary mixture data at different pressure and constant gas compositions and vice versa
  • Relationship between data and thermodynamic selectivity

Dynamic calculations

  • Introduction into the relevant parameters
    • Different solver models for dynamic simulations
    • Isothermal and Non-isothermal calculations
    • Constant gas velocity versus variable gas velocity
    • Physical parameters of the model
    • Mathematical parameters of the solver
  • Calculation of a breakthrough curve
  • Fitting a model on experimental breakthrough for determination of a lumped transport parameter (kLDF)
  • Calculations with an already fitted model (Adsorption, Desorption, pressure changes etc.)

Questions and discussion



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