&HEAD CHID='FED_FIC', TITLE='Verification of FED and FIC outputs, SVN $Revision: 12143 $'/ All material properties etc. are completely fabricated. This is a verifiaction test case for the gas phase DEVC output quantity FED, which calculates the Fractional Effective Dose (FED) index, and gas phase output quantity FIC, which calculates the Fractional Irritant Concentration. Total FED dose: FED_DOSE = (FED_LCO + FED_LCN + FED_LNOX + FLD_IRR)*FED_VCO2 + FED_LO2; Time (T) in s, concentration (C_X) in ppm. ASPHYXIANTS: CARBON MONOXIDE: FED_LCO = (3.317E-5 * (C_CO)^1.036 * RMV * (T/60)) / D; with RMV=25 [l/min] and D=30 [%] COHB concentration at incapasitation. CYANIDE: FED_LCN = (EXP(C_CN/43)/220 - 0.0045) * (T/60); WHERE C_CN = C_HCN - C_NO - C_NO2 NO2 + NO: FED_LNOX = C_NOX/1500 * (T/60); WHERE C_NOX = C_NO + C_NO2 CO2-induced hyperventilation FED_VCO2 = EXP(0.1903*C_CO2/1E4 + 2.0004)/7.1; Note that the present version only inlcudes the hyperventilation factor of CO2, not its toxic effects. CO2 starts to be an asphyxiant at consentrations of approx. 5 percent. Low oxygen: FED_LO2 = 1/EXP(8.13 - 0.54*(0.209 - C_O2/1E6)) * (T/60); IRRITANTS: FIC_IRR = C_HCL/114000 + C_HBR/114000 + C_HF/87000 + C_SO2/12000 + C_NO2/1900 + C_CH2CHO/4500 + C_HCHO/22500; &MESH IJK= 20,5,5, XB= 0.0,8.0, 0.0,2.0, 0.0,2.0 / &TIME T_END=100.0, DT=0.1 / &DUMP DT_DEVC=0.1 / &SPEC ID='NITROGEN', BACKGROUND=.TRUE. / &SPEC ID='OXYGEN' / &SPEC ID='CARBON DIOXIDE' / &SPEC ID='CARBON MONOXIDE' / &SPEC ID='NITRIC OXIDE' / &SPEC ID='NITROGEN DIOXIDE' / &SPEC ID='HYDROGEN CYANIDE' / &SPEC ID='HYDROGEN CHLORIDE' / &SPEC ID='HYDROGEN BROMIDE' / &SPEC ID='HYDROGEN FLUORIDE' / &SPEC ID='SULFUR DIOXIDE' / &SPEC ID='ACROLEIN' / &SPEC ID='FORMALDEHYDE' / &OBST XB = 2,2.4,0,2,0,2 / &OBST XB = 4,4.4,0,2,0,2 / &OBST XB = 6,6.4,0,2,0,2 / ! O2, CO2 and CO ! Concentrations & mass fractions for this test case: ! gas mol/mol g/g ! O2 0.09772709 0.10806110 ! CO2 0.03430594 0.05215865 ! CO 0.00324186 0.00313658 ! N2 0.86472511 0.83664366 &INIT XB = 0,2,0,2,0,2 MASS_FRACTION(1)=0.10806110 MASS_FRACTION(2)=0.05215865 MASS_FRACTION(3)=0.00313658 SPEC_ID='OXYGEN','CARBON DIOXIDE','CARBON MONOXIDE' / ! Aphyxiants ! Concentrations & mass fractions for this test case: ! gas mol/mol g/g ! O2 0.09021848 0.10070468 ! CO2 0.01918864 0.02945107 ! CO 0.00245582 0.00239861 ! N2 0.88773686 0.86705462 ! NO 0.00013487 0.00014113 ! HCN 0.00026533 0.00024989 &INIT XB = 2,4,0,2,0,2 MASS_FRACTION(1)=0.10070468 MASS_FRACTION(2)=0.02945107 MASS_FRACTION(3)=0.00239861 MASS_FRACTION(4)=0.00014113 MASS_FRACTION(5)=0.00024989 SPEC_ID='OXYGEN','CARBON DIOXIDE','CARBON MONOXIDE','NITRIC OXIDE','HYDROGEN CYANIDE' / ! Irritants ! Concentrations & mass fractions for this test case: ! gas mol/mol g/g ! O2 0.20900000 0.23189907 ! N2 0.79078667 0.76775051 ! NO2 0.00000114 0.00000182 ! HCl 0.00006833 0.00008530 ! HBr 0.00006833 0.00019192 ! HF 0.00005215 0.00003616 ! SO2 0.00000719 0.00001596 ! Acrolein 0.00000270 0.00000524 ! HCHO 0.00001349 0.00001403 &INIT XB = 4,6,0,2,0,2 MASS_FRACTION(1)=0.23189907 MASS_FRACTION(2)=0.00000182 MASS_FRACTION(3)=0.00008530 MASS_FRACTION(4)=0.00019192 MASS_FRACTION(5)=0.00003616 MASS_FRACTION(6)=0.00001596 MASS_FRACTION(7)=0.00000524 MASS_FRACTION(8)=0.00001403 SPEC_ID='OXYGEN','NITROGEN DIOXIDE','HYDROGEN CHLORIDE','HYDROGEN BROMIDE','HYDROGEN FLUORIDE','SULFUR DIOXIDE','ACROLEIN','FORMALDEHYDE' / ! All ! Concentrations & mass fractions for this test case: ! gas mol/mol g/g ! O2 0.10305454 0.11557385 ! CO2 0.00746276 0.01150786 ! CO 0.00166045 0.00162939 ! N2 0.88742229 0.87082488 ! NO 0.00008934 0.00009393 ! NO2 0.00000057 0.00000092 ! HCN 0.00020396 0.00019300 ! HCl 0.00003417 0.00004311 ! HBr 0.00003417 0.00009699 ! HF 0.00002607 0.00001828 ! SO2 0.00000360 0.00000807 ! Acrolein 0.00000135 0.00000265 ! HCHO 0.00000674 0.00000709 &INIT XB = 6,8,0,2,0,2 MASS_FRACTION(1)=0.11557385 MASS_FRACTION(2)=0.01150786 MASS_FRACTION(3)=0.00162939 MASS_FRACTION(4)=0.00009393 MASS_FRACTION(5)=0.00000092 MASS_FRACTION(6)=0.00019300 MASS_FRACTION(7)=0.00004311 MASS_FRACTION(8)=0.00009699 MASS_FRACTION(9)=0.00001828 MASS_FRACTION(10)=0.00000807 MASS_FRACTION(11)=0.00000265 MASS_FRACTION(12)=0.00000709 SPEC_ID='OXYGEN','CARBON DIOXIDE','CARBON MONOXIDE','NITRIC OXIDE','NITROGEN DIOXIDE','HYDROGEN CYANIDE','HYDROGEN CHLORIDE','HYDROGEN BROMIDE','HYDROGEN FLUORIDE','SULFUR DIOXIDE','ACROLEIN','FORMALDEHYDE' / !Devices &DEVC XYZ= 1.0,1.0,1.0, QUANTITY='FED', ID='FED (O2, CO2, CO)' / &DEVC XYZ= 3.0,1.0,1.0, QUANTITY='FED', ID='FED (Asphyxiants)' / &DEVC XYZ= 5.0,1.0,1.0, QUANTITY='FED', ID='FED (Irritants)' / &DEVC XYZ= 7.0,1.0,1.0, QUANTITY='FED', ID='FED (All)' / &DEVC XYZ= 1.0,1.0,1.0, QUANTITY='FIC', ID='FIC (O2, CO2, CO)' / &DEVC XYZ= 3.0,1.0,1.0, QUANTITY='FIC', ID='FIC (Asphyxiants)' / &DEVC XYZ= 5.0,1.0,1.0, QUANTITY='FIC', ID='FIC (Irritants)' / &DEVC XYZ= 7.0,1.0,1.0, QUANTITY='FIC', ID='FIC (All)' / &TAIL /