open-darts-flash 0.5.0

Multiphase equilibrium and thermodynamic models for subsurface energy transition applications

DARTS-flash

DARTS-flash is a standalone library for performing multiphase equilibrium and thermodynamic properties calculations from a range of thermodynamic models. DARTS-flash has interfaces in C++ and Python and it depends on Eigen and Pybind11 libraries.

Features

DARTS-flash has been developed primarily for simulation of flow and transport in CO2-sequestration and geothermal-related subsurface applications. The robustness and accuracy of thermodynamic modelling routines determine the robustness of the compositional simulation.

• Thermodynamic models
  • Helmholtz-form EoS
  • Activity models for aqueous phase
  • Van der Waals-Platteeuw hydrate EoS
  • Solid phase EoS
• Stability test and multiphase split
  • Hybrid-EoS implementation
  • Newton methods for second-order convergence
  • Choice of variables, line search procedures, modified Cholesky decomposition
  • (coming soon) (Augmented) free-water flash methods
• Solution strategies for multiphase equilibrium
  • Two-phase negative flash
  • (coming soon) N-phase stability-flash
  • Multiphase flash at PT/PH state specification
• C++ interface
  • (coming soon) Derivatives for simulation
• Python interface
  • Phase diagrams
  • EoS property evaluation
  • Gibbs energy and tangent plane analysis
  • Hydrate equilibrium curves
  • (coming soon) PVT experiments

Installation

Via pip

DARTS-flash is available for Python 3.8 to 3.11.

pip install open-darts-flash

Building dartsflash

The package can be built and installed by executing the build scripts (see building darts-flash).

For Linux and macOS:

./helper_scripts/build.sh

and for Windows

./helper_scripts/build.bat

Call the build script with the -h option to display the help menu.

For developers

Check our wiki and the section on how to contribute.

Citing DARTS-flash