Master python script runs fds and python experiment script.

Verification/Kinetics/Master.py

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+import subprocess
+import argparse
+#import csv
+import json
+import os
+
+
+# create the parser
+parser = argparse.ArgumentParser()
+# add an argument
+parser.add_argument('experiment')
+parser.add_argument('material')
+
+# parse arguments
+args = parser.parse_args()
+
+material = 'MaCFP_PMMA_NIST'
+
+year = str(2021)
+json_file_path = '../../PMMA/Material_Properties/' + year + '/' + args.material + '.json'
+
+
+# read the json file
+try:
+    with open(json_file_path, 'r') as file:
+        year = str(2021)
+        kdata           = json.load(file)
+except:
+    year = str(2023)
+    with open(json_file_path, 'r') as file:
+        kdata           = json.load(file)
+
+A       = kdata['Kinetics']['Pre-exponential']   # pre-exponential    , 1/s
+E       = kdata['Kinetics']['Activation Energy'] # activation energy  , J/mol
+
+
+
+
+# Read fds script
+with open('properties.txt', 'r') as file:
+    file_lines = file.readlines()
+# Write fds script
+file_lines[6] = "      A(1) = " + str(A) + "\n"
+file_lines[7] = "      E(1) = " + str(E) + "\n"
+
+file_lines[20] = "      A(1) = " + str(A) + "\n"
+file_lines[21] = "      E(1) = " + str(E) + "\n"
+with open('properties.txt', 'w') as file:
+    for line in file_lines:
+        file.write(line)
+
+
+
+os.system('cmd /c "fds_local NIST_TGA_10K.fds"')# NIST_TGA_10K.fds"')#NIST_TGA_10K$$$$
+
+
+
+
+# run experiment
+subprocess.run(["py", args.experiment + ".py",args.material])
+
+#remove unnecesary fds files
+try:
+    os.remove("NIST_TGA_10K_cat_steps.csv")
+    os.remove("NIST_TGA_10K_cat.binfo")
+    os.remove("NIST_TGA_10K_cat.end")
+    os.remove("NIST_TGA_10K_cat.out")
+    os.remove("NIST_TGA_10K_cat.sinfo")
+    os.remove("NIST_TGA_10K_cat.smv")
+    os.remove("NIST_TGA_10K_cat_1_1.s3d")
+    os.remove("NIST_TGA_10K_cat_1_2.s3d")
+    os.remove("NIST_TGA_10K_cat_1_2.s3d.sz")
+    os.remove("NIST_TGA_10K_cat_1_3.s3d")
+    os.remove("NIST_TGA_10K_cat_1_3.s3d.sz")
+    os.remove("NIST_TGA_10K_cat_git.txt")
+    os.remove("NIST_TGA_10K_cat_hrr.csv")
+    os.remove("NIST_TGA_10K_cat_cpu.csv")
+    os.remove("NIST_TGA_10K_cat_1_1.s3d.sz")
+
+    os.remove("NIST_TGA_10K_cat_devc.csv")
+
+except:
+    exc = 1

Verification/Kinetics/NIST_TGA_10K.fds

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+&HEAD CHID='NIST_TGA_10K', TITLE='5 mg of Black PMMA heated at 10 K/min' /
+
+&MESH IJK=3,3,3, XB=-0.015,0.015,-0.015,0.015,0.000,0.030 /
+
+&TIME T_END=500., WALL_INCREMENT=1, DT=0.1 /
+
+&MISC TMPA=27., Y_O2_INFTY=0.001 /
+
+&RADI RADIATION=F /
+
+&CATF OTHER_FILES='properties.txt' /
+
+&SURF ID='PMMA BC'
+      COLOR='BLACK'
+      TMP_GAS_FRONT=727., RAMP_TMP_GAS_FRONT='T-ramp'
+      HEAT_TRANSFER_COEFFICIENT=500.
+      N_LAYER_CELLS_MAX=1
+      MATL_ID='BLACK PMMA'
+      BACKING='INSULATED'
+      THICKNESS=0.0001 /
+
+&RAMP ID='T-ramp', T=   0., F=0. /
+&RAMP ID='T-ramp', T=4200., F=1. /
+
+&VENT XB=-0.005,0.005,-0.005,0.005,0.000,0.000, SURF_ID='PMMA BC' /
+
+&DUMP DT_DEVC=6. /
+
+&DEVC ID='Temperature', XYZ=0,0,0, IOR=3, QUANTITY='WALL TEMPERATURE', CONVERSION_ADDEND=273.15, UNITS='[K]' /
+&DEVC ID='Mass', XYZ=0,0,0, IOR=3, QUANTITY='NORMALIZED MASS', CONVERSION_FACTOR=5, UNITS='[mg]' /
+&DEVC ID='Heat Flow', XYZ=0,0,0, IOR=3, QUANTITY='NORMALIZED HEATING RATE', UNITS='[W/g]' /
+
+&TAIL / 
+
+

Verification/Kinetics/NIST_TGA_10K_cat.fds

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+&HEAD CHID='NIST_TGA_10K_cat', TITLE='(Concatenated) 5 mg of Black PMMA heated at 10 K/min' /
+
+&MESH IJK=3,3,3, XB=-0.015,0.015,-0.015,0.015,0.000,0.030 /
+
+&TIME T_END=500., WALL_INCREMENT=1, DT=0.1 /
+
+&MISC TMPA=27., Y_O2_INFTY=0.001 /
+
+&RADI RADIATION=F /
+
+
+&SURF ID='PMMA BC'
+      COLOR='BLACK'
+      TMP_GAS_FRONT=727., RAMP_TMP_GAS_FRONT='T-ramp'
+      HEAT_TRANSFER_COEFFICIENT=500.
+      N_LAYER_CELLS_MAX=1
+      MATL_ID='BLACK PMMA'
+      BACKING='INSULATED'
+      THICKNESS=0.0001 /
+
+&RAMP ID='T-ramp', T=   0., F=0. /
+&RAMP ID='T-ramp', T=4200., F=1. /
+
+&VENT XB=-0.005,0.005,-0.005,0.005,0.000,0.000, SURF_ID='PMMA BC' /
+
+&DUMP DT_DEVC=6. /
+
+&DEVC ID='Temperature', XYZ=0,0,0, IOR=3, QUANTITY='WALL TEMPERATURE', CONVERSION_ADDEND=273.15, UNITS='[K]' /
+&DEVC ID='Mass', XYZ=0,0,0, IOR=3, QUANTITY='NORMALIZED MASS', CONVERSION_FACTOR=5, UNITS='[mg]' /
+&DEVC ID='Heat Flow', XYZ=0,0,0, IOR=3, QUANTITY='NORMALIZED HEATING RATE', UNITS='[W/g]' /
+
+# Start of file properties.txt :
+&SPEC ID='MMA', FORMULA='C5H8O2', SPECIFIC_HEAT=1.1, RADCAL_ID='MMA', SIGMALJ=4.701, EPSILONKLJ=205.78 /
+
+&REAC FUEL='MMA', SOOT_YIELD=0.022, CO_YIELD=0.01, RADIATIVE_FRACTION=0.31 /  Tewarson, 4th SFPE Handbook, Table 3-4.16
+
+&MATL ID='BLACK PMMA'
+      ABSORPTION_COEFFICIENT=2870.
+      A(1) = 28500000000000.0
+      E(1) = 191000.0
+      EMISSIVITY=0.96
+      DENSITY= 1210.
+      SPEC_ID='MMA'
+      NU_SPEC= 0.02
+      MATL_ID='PMMA_INT'
+      NU_MATL=0.98
+      CONDUCTIVITY_RAMP ='k_PMMA'
+      SPECIFIC_HEAT_RAMP = 'cp_PMMA'
+      HEAT_OF_REACTION = 5. /
+
+&MATL ID='PMMA_INT'
+      ABSORPTION_COEFFICIENT=2870.
+      A(1) = 28500000000000.0
+      E(1) = 191000.0
+      EMISSIVITY=0.96
+      DENSITY= 1210.
+      SPEC_ID='MMA'
+      NU_SPEC= 0.98
+      MATL_ID='PMMA_CHAR'
+      NU_MATL=0.02
+      CONDUCTIVITY_RAMP ='k_PMMA'
+      SPECIFIC_HEAT_RAMP = 'cp_PMMA'
+      HEAT_OF_REACTION = 817. /
+
+&MATL ID='PMMA_CHAR'
+      ABSORPTION_COEFFICIENT=2870.
+      EMISSIVITY=0.96
+      DENSITY=1210.
+      CONDUCTIVITY_RAMP = 'k_PMMA'
+      SPECIFIC_HEAT_RAMP = 'cp_PMMA' /
+
+&RAMP ID='k_PMMA', T= 20., F=0.160 /
+&RAMP ID='k_PMMA', T=122., F=0.160 /
+&RAMP ID='k_PMMA', T=500., F=0.015 /
+
+&RAMP ID='cp_PMMA', T= 20., F=1.05 /
+&RAMP ID='cp_PMMA', T=122., F=1.90 /
+&RAMP ID='cp_PMMA', T=500., F=3.22 /
+
+&TAIL /