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Thermopack

Thermopack is a flexible workbench for thermodynamic properties of fluids. It provides an interface to a range of different equations of state, mixing rules, and utilities for computing dependent thermodynamic properties.

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Knowledge of the thermodynamic properties of fluids is essential for optimizing the design and operation of process equipment used in the energy sector. Thermopack offers robust and accurate models for equilibrium and non-equilibrium properties of fluids, as well as mixtures of fluids, electrolytes, solids and hydrates. The models are based on advanced and accurate laboratory measurements. Numerical solution methods are available for the most common thermodynamic calculations, such as phase calculations, saturation curves and critical points. Thermopack has mainly been used within CO2 capture and storage (CCS), natural gas, refrigerants and hydrogen.

Fasediagram
Fasediagram for en CO₂ rik sammensetning av CO₂, N₂, H₂ og H₂O beregnet med Soave Redlich Kwong ligningen (SRK). Molfraksjonen av H₂O varieres, mens de relative sammensetningene av de øvrige komponentene er 0,98, 0,01 og 0,01 for henholdsvis CO₂, N₂ og H₂. (Is og hydrater er ikke inkludert i dette diagrammet.)

Source code

A limited-functionality version of Thermopack is available as open source on GitHub. Our goal is to make all the features of our in-house Thermopack code available in the open-source version.

Current uses of Thermopack

  • Development of thermodynamic models: a) Development of SAFT equations of state, supported by NVT and Gibbs Ensemble Monte Carlo methods (statistical simulation techniques), as well as molecular dynamics (MD) simulations. b) Implementation, testing and benchmarking of existing models.
  • CFD simulations: Multi-phase energy-volume calculations have been developed to enable direct computation of thermodynamic properties during simulation. See also the CO2 Dynamics software.
  • Fitting of thermodynamic models: Models are fitted to and evaluated against experimental data.
  • Steady-state simulations and optimization: In particular, modeling and design optimization of complex heat exchangers.
  • Experimental planning
  • Visualization of thermodynamic states and processes

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Eksempel på fasevekt i H₂O CO₂ systemet ved isotermen 288 K. Figuren viser fasesammensetningene for den vannrike fasen og de CO₂ rike fasene ved ulike trykk. Beste eksperimentelle tilpasning for SRK (Soave Redlich Kwong) og CPA (Cubic Plus Association) modellene er vist.
Eksempel på fasevekt i H₂O CO₂ systemet ved isotermen 288 K. Figuren viser fasesammensetningene for den vannrike fasen og de CO₂ rike fasene ved ulike trykk. Beste eksperimentelle tilpasning for SRK (Soave Redlich Kwong) og CPA (Cubic Plus Association) modellene er vist.

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