Assessing the Complexity of the Simulation:
Simulating high-pressure liquid CO2 jet dynamics with phase
transitions (from liquid to gas) is indeed complex, but OpenFOAM
solvers, particularly those designed for multiphase flows, can
handle this situation with the right setup. That said, it depends on
how accurately you want to model the process and the specific
physics involved.
Let's break down the key aspects of the simulation:
1. Key Aspects of the Simulation
High-Pressure CO2 Behavior: You’re dealing with a
substance (CO2) that has complex thermodynamic behavior,
especially when close to or beyond its critical point. As CO2
undergoes phase change from liquid to gas, you need to
account for superheated liquid, vaporization, and
potential two-phase flow dynamics.
Phase Change (Liquid to Gas): The phase change between
liquid and gas is complex because it depends on both
pressure and temperature. It’s also a highly non-linear
process, especially when dealing with fluids at pressures and
temperatures close to critical points (e.g., CO2 critical point:
304.13 K and 7390 kPa).
Nozzle Flow: The CO2 is expanding through a nozzle, so you
need to capture compressibility effects, turbulent flow,
and flow separation. The flow near the nozzle walls may also
experience boundary layer effects, which can complicate
things further.
2. Can Existing OpenFOAM Solvers Handle This Case?
Given these complexities, let’s evaluate some of OpenFOAM’s
existing solvers:
interFoam:
o This is the standard solver for two-phase
incompressible flows and could be used to simulate
the liquid and gas phases of CO2. However, interFoam
is not designed to handle compressibility (CO2 is
compressible) or phase change directly.
o Limitations: The solver doesn't have built-in models for
high-pressure liquid to gas transitions. For CO2 at high
pressure and close to critical points, it’s important to
model compressible flows and thermodynamic
properties that include the equation of state (EOS)
for CO2.
twoPhaseEulerFoam:
o This solver is designed for two-phase flows with one or
both phases being compressible. It supports phase
change through additional models, but it requires
careful thermodynamic setup, including the correct
equation of state (EOS) and possibly custom phase
change models (latent heat, etc.).
o Limitations: While it can handle multiphase dynamics,
it may require modifications to simulate CO2's exact
phase transition accurately because CO2 behaves non-
ideally near critical conditions.
rhoReactingTwoPhaseEulerFoam:
o This is a more advanced solver that can simulate
multiphase reacting flows and includes
thermodynamics (e.g., vaporization, superheating,
latent heat), and is compressible by design.
o Strengths: The solver is better suited for simulating
phase transitions and is more robust when it comes to
handling thermodynamic properties. It should be
able to simulate your CO2 system with liquid to gas
transition.
o Limitations: While it is more advanced, you will need to
make sure that the thermophysical properties of CO2
are properly defined, including how CO2 behaves near
the critical point (e.g., the van der Waals equation of
state or a real gas model). This may require some fine-
tuning and a solid understanding of thermodynamic
modeling.
3. Do You Need to Develop a New Solver?
In Many Cases, You Don't Need a New Solver:
Modifying Existing Solvers: OpenFOAM's existing
solvers (like twoPhaseEulerFoam or
rhoReactingTwoPhaseEulerFoam) can simulate your scenario
with modifications. These modifications typically involve:
o Custom thermophysical properties: You would need
to define CO2's equation of state (EOS) and
thermodynamic properties to capture accurate phase
change behavior.
o Boundary Conditions: Properly set boundary
conditions for phase change, jet expansion, and nozzle
flow.
o Refinement: You may need to refine the mesh around
the nozzle and the regions of phase change to better
capture the dynamics.
o Additional Models: Some phase change models or
equations for CO2 may need to be added to capture
latent heat effects or other complex thermodynamic
aspects.
When a Custom Solver Might Be Required:
Complex Thermodynamics: If the phase transition process
for CO2 is extremely complex or involves specific
superheating effects, real gas effects, or complex phase
change models, then you may need to develop a custom
solver or extend the existing ones to more accurately
reflect these effects.
o For instance, if you want to model the compressible
multiphase flow with more complex thermodynamic
behavior (like non-ideal gases near the critical point),
you may need to code a custom solver or extend an
existing one with customized EOS, latent heat, and
superheated phase transitions.
4. Practical Recommendations
Option 1: Start with rhoReactingTwoPhaseEulerFoam
Step 1: Use rhoReactingTwoPhaseEulerFoam as the
solver. This solver is already designed for compressible
multiphase flows and phase transitions, so it’s the most robust
existing option.
Step 2: Customize the thermophysical properties of CO2,
including the equation of state (EOS) to represent CO2's
real gas behavior. Use models that incorporate
superheating, latent heat, and phase change.
Step 3: Carefully set up the boundary conditions and initial
conditions for velocity, pressure, temperature, and phase
fraction, particularly at the nozzle to capture the flow
dynamics.
Step 4: Run preliminary simulations and adjust mesh
refinement around the nozzle and phase change regions to
ensure accuracy.
Option 2: Modify twoPhaseEulerFoam
Step 1: If rhoReactingTwoPhaseEulerFoam seems too
complex or not fitting well, you can start with
twoPhaseEulerFoam.
Step 2: Modify it to account for compressible flows, phase
transition, and thermodynamic properties of CO2.
Step 3: Implement a real gas equation of state (e.g.,
Peng-Robinson EOS, van der Waals, or a tabulated EOS for
CO2) to correctly model phase change behavior at different
pressures and temperatures.
Step 4: Incorporate the latent heat and any specific phase
change models that are needed for CO2.
Option 3: Develop a Custom Solver
Step 1: If the existing solvers are insufficient or too complex
to modify, you may opt for a custom solver.
o This could be a solver based on twoPhaseEulerFoam or
rhoReactingTwoPhaseEulerFoam, with the specific CO2
thermodynamics and phase change models
incorporated from scratch.
Step 2: You would need to have a deep understanding of
OpenFOAM’s source code and C++ programming to develop
this solver.
Step 3: Implement the real gas effects, compressibility,
and latent heat effects for CO2, and test it with simpler
cases first.
5. Conclusion
In most cases, you do not need to develop a completely new
solver for this case. OpenFOAM solvers like
rhoReactingTwoPhaseEulerFoam or twoPhaseEulerFoam can handle
the simulation of high-pressure CO2 jets with phase transitions,
but customization is necessary:
1. Custom Thermophysical Properties: You’ll need to define
accurate thermodynamic models for CO2’s real gas behavior.
2. Mesh Refinement: Refine the mesh near the nozzle to
resolve the high-pressure flow and phase transition dynamics.
3. Solver Adjustments: Depending on the solver you choose,
you might need to adjust or extend it for accurate phase
change modeling.
If the existing solvers can’t capture the necessary complexity,
developing a custom solver might be the best route, but this
should be a last resort, as it requires significant effort and expertise.
Let me know if you need further clarification or help with any part of
the setup!
