Usage

After installing the pyropython package, it can be used from the command line as follows

pyropython config.yml
plot_pyro config.yml

The first command runs the main parameter identification program and the latter command plots the results. The config.yml file is a yaml-based configuration file. Below is a minimal example of a configuration file

pyropython config.yml

The config.yml file is a yaml-based configuration file. Below is a minimal example of a configuration file

num_jobs: 2 # number of parallel jobs
max_iter: 1 # maximum number of iterations
num_points: 2  # How many points explored per iteration
num_initial: 10 # Number of points in initial design
initial_design: lhs
# lines startting with hash (#) are comments
fds_command: path/to/executable
variables:
  logA:       [4.0,14.0]
  E:       [100000.0, 500000.0]
simulation:
    MASS20:
        fname: 'birch_tga_1step_20_tga.csv'
        dep_col_name: 'Mass'
        ind_col_name: 'Temp'
    experiment:
    MASS20:
        fname: 'birch_tga_20_exp.csv'
        dep_col_name: 'Mass'
        ind_col_name: 'Temp'
    templates: ["birch_tga_1step_20.fds"]

In addition to the above configuration file, the tamplate file “birch_tga_1step_20.fds” needs to exist in the same directory as the config.yml file. The template files are Jinja2 templates that produce input files for FDS (or any other simulator that accepts text based input.). Below is an example of a configuration file that could be used with the above input.

&HEAD CHID='birch_tga_1step_20', TITLE='TGA TEST of evaporation' /

&MESH IJK=3,1,4, XB=-2,2,-0.5,0.5,0,1 /

&TIME T_END=2400., WALL_INCREMENT=1, DT=1.0 /

&RADI NUMBER_RADIATION_ANGLES = 20 /
&REAC FUEL='METHANE', C=1, H=4, CRITICAL_FLAME_TEMPERATURE=2000. /  No gas phase reaction

&SPEC ID='WATER VAPOR' /

&VENT XB = -1,1,-0.5,0.5,0.0,0.0, SURF_ID = 'SAMPLE' /

&SURF ID = 'SAMPLE'
    RGB =200,100,0
    BACKING = 'INSULATED'
    THICKNESS = 0.00001
    HEAT_TRANSFER_COEFFICIENT = 0.
    TGA_ANALYSIS=.TRUE.
    TGA_HEATING_RATE = 20.
    TGA_FINAL_TEMPERATURE = 800.
    MATL_ID(1,1) = 'BIRCH',
    MATL_ID(1,2) = 'MOISTURE'
    MATL_MASS_FRACTION(1,:) = 0.9875,0.0125/

&MATL ID = 'MOISTURE'
    EMISSIVITY  = 1.0
    DENSITY     = 1000.
    CONDUCTIVITY    = 0.6
    SPECIFIC_HEAT   = 4.19
    N_REACTIONS     = 1
    A       = 1E13
    E       = 1e5
    N_S             = 1
    SPEC_ID         = 'WATER VAPOR'
    NU_SPEC         = 1.0
    HEAT_OF_REACTION= 2260. /


&MATL ID = 'BIRCH'
    EMISSIVITY  = 1.0
    DENSITY     = 550.
    CONDUCTIVITY    = 0.20
    SPECIFIC_HEAT   = 1.34
    N_REACTIONS     = 1
    A               = {{A**logA}}
    E               = {{E}}
    N_S             = 1.0
    SPEC_ID         = 'METHANE'
    NU_SPEC         = 0.835
    MATL_ID         = 'CHAR'
    NU_MATL         = 0.165
    HEAT_OF_REACTION= 218.
    HEAT_OF_COMBUSTION = 40000.0 /

&MATL ID = 'CHAR'
    EMISSIVITY  = 1.0
    DENSITY     = 140.
    CONDUCTIVITY    = 0.09
    SPECIFIC_HEAT   = 1.1 /

&TAIL /

Note that the pre-exponentiation factor is transformed in to logarithmic scale, by setting {{10**logA}} in the input file. The operator “**” stands for power in the Python programming language and the statement “10**logA” means “10 to the power of logA”.