Case Files

Simulation case files make running simulations more convenient by storing all the necessary information in a single file. This includes the system geometry, initial and boundary conditions, and simulation parameters. Simulations can be loaded from case files as shown below:

import sco2es

sim = sco2es.PackedBed.load_case("case.yaml")

Current Limitations

Currently, case files can only be used to set up the simulation in a Python script. Future improvements include storing charge and discharge cycle parameters in the case file to automate the entire simulation, as well as running simulations from the command line.

File format

Below is the reference YAML file format for the simulation case file:

reference_case.yaml

system:
  packed-bed:
    length: 9.0  # [m]
    diameter: 3.0  # [m]
    particle-diameter: 0.003  # [m]
    void-fraction: 0.35
  wall:
    - thickness: 0.1  # [m]
      thermal-conductivity: 0.25  # [W/m/K]
      density: 250  # [kg/m^3]
      specific-heat: 1200  # [J/kg/K]

simulation:
  grid:
    axial-nodes: 1000
    wall-layer-nodes: 10
  initial-conditions:
    temperature: 298  # [K]
    pressure: 27.5e6  # [Pa]
  boundary-conditions:
    type: constant-temperature  # (1)!
    temperature: 298  # [K]

1. Constant temperature is currently the only supported boundary condition type