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Permissible Exposure Levels for Selected Military Fuel Vapors (1996)

Chapter: APPENDIX A: Program: Model for Two Volatile Organics

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Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
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Appendix A

Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
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Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×

PROGRAM: MODEL FOR TWO VOLATILE ORGANICS (PEL.CSL)

'PHYSIOLOGICALLY BASED MODELING OF HEXANE'

'AND TOLUENE FOR SUBCOMMITTEE ON PERMISSIBLE'

'EXPOSURE LEVELS FOR MILITARY FUELS'

'THIS PROGRAM DESCRIBES COMPETITIVE, NONCOMPETITIVE,'

'AND UNCOMPETITIVE INHIBITION IN THE METABOLISM OF TWO'

'VOLATILE ORGANIC CHEMICALS, HEXANE AND TOLUENE'

INITIAL

'Physiological parameters'

CONSTANT

QPC=15.

CONSTANT

QCC=15.

CONSTANT

VLC=0.04

CONSTANT

VFC=0.20

CONSTANT

QLC=0.25

CONSTANT

QFC=0.09

CONSTANT

BW=80

'Partition coefficients; 1=HEXANE, 2=TOLUENE'

CONSTANT

PL1=2.27

CONSTANT

PL2=4.64

CONSTANT

PF1=69.4

CONSTANT

PF2=56.7

CONSTANT

PS1=1.27

CONSTANT

PS2=1.54

CONSTANT

PR1=2.27

CONSTANT

PR2=4.64

CONSTANT

PB1=2.29

CONSTANT

PB2=18

'Biochemical Parameters; 1=HEXANE 2=TOLUENE'

CONSTANT

VMAXC1=3.0

CONSTANT

VMAXC2=7.5

CONSTANT

KM1=0.3

CONSTANT

KM2=0.3

CONSTANT

KMI1=0.3

CONSTANT

KMI2=0.3

CONSTANT

KM21=1E6

CONSTANT

KM12=1E6

CONSTANT

CONC1=150. $'Concentration in mg/m3 or ug/L'

CONSTANT

CONC2=150.

CONSTANT

MW1=88

CONSTANT

MW2=92

CONSTANT

KL1=0.

Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×

CONSTANT

KL2=0.

AIO1=CONC1/MW1

$'Initial concentration in umoles/L'

AIO2=CONC2/MW2

 

'** TIMING COMMANDS'

SCHEDULE DS1 .AT. TCHNG

CIZONE=1.

CONSTANT

TCHNG=8.

CONSTANT

TSTOP=48.

CONSTANT

POINTS=50.

CINT=TSTOP/POINTS

'SCALED PARAMETERS'

QC

= QCC*BW**0.74

QP

= QPC*BW**0.74

VMAX1

= VMAXC1*BW**0.7

VMAX2

= VSAXC2*BW**0.7

QL

= QLC*QC

QF

= QFC*QC

QS

= 0.24*QC-QF

QR

= 0.76*QC-QL

VL

= VLC*BW

VS

= 0.82*BW-VF

VR

= 0.09*BW-VL

END $'END OF INITIAL'

DYNAMIC

ALGORITHM IALG=2

DISCRETE DS1

CIZONE=0

CALL LOGD (.TRUE.)

END

DERIVATIVE

'COMPOUND 1'

'CI = CONCENTRATION IN INHALED AIR (UMOLE/L)'

RAI1 = QP*CI1

AI1 = INTEG(RAI1,0.)

Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×

CI1 = AIO1*CZONE

'AB = AMOUNT IN LUNG BLOOD COMPARTMENT (UMOLE)'

CA1 = (QC*CV1+QP*CI1)/(QP/PB1+QC)

CX1 = CA1/PB1

AUCB1= INTEG(CA1,.0001)

'AX = AMOUNT EXHALED (UMOLE)'

RAX1 = QP*CX1

AX1 = INTEG(RAX1,.0001)

'AF = AMOUNT IN FAT COMPARTMENT (UMOLE)'

RAF1 = QF*(CA1-CVF1)

AF1 = INTEG(RAF1,.0001)

CVF1 = AF1/(VF*PF1)

CF1 = AF1/VF

'AL = AMOUNT IN LIVER COMPARTMENT (UMOLE)'

RAL1 = QL*(CA1-CVL1)-RAM1

AL1 = INTEG(RAL1,.0001)

CVL1 = AL1/ (VL*PL1)

CL1 = AL1/VL

'AS = AMOUNT IN SLOWELY PERFUSED TISSUES (UMOLE)'

RAS1 = QS*(CA1-CVS1)

AS1 = INTEG(RAS1,.0001)

CVS1 = AS1/(VS*PS1)

CS1 = AS1/VS

'AR = AMOUNT IN RAPIDLY PERFUSED TISSUES (UMOLE)'

RAR1 = QR* (CA1-CVR1)

AR1 = INTEG(RAR1,.0001)

CVR1 = AR1/(VR*PR1)

CR1 = AR1/VR

'AM = AMOUNT METABOLIZED (UMOLE)'

RAM1 = (VAMX1*CVL1)/KM1*DEN1+CVL1*DEN2)

DEN1 = 1.+CVL2/KMI2

DEN2 = 1.+CVL2/KM21

AM1 = INTEG(RAM1,.0001)

'CV = MIXED VEMOUS BLOOD CONCENTRATION (UMOLE)'

CV1 = (QF*CVF1 + QL*CVL1 + QS*CVS1 + QR*CVR1)/QC

'COMPOUND 1'

'CI = CONCENTRATION IN INHALED AIR (UMOLE/L)'

RAI2 = QP*CI2

Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×

AI2 = INTEG(RAI2,0.)

CI2 = AIO2*CZONE

'AB = AMOUNT IN LUNG BLOOD COMPARTMENT (UMOLE)'

CA2 = (QC*CV2+QP*CI2)/(QP/PB2+QC)

CX2 = CA2/PB2

AUCB2= INTEG(CA2,.0001)

'AX = AMOUNT EXHALED (UMOLE)'

RAX2 = QP*CX2

AX2 = INTEG(RAX2, .0001)

'AF = AMOUNT IN FAT COMPARTMENT (UMOLE)'

RAF2 = QF* (CA2-CVF2)

AF2 = INTEG(RAF2,.0001)

CVF2 = AF2/(VF*PF2)

CF2 = AF2/VF

'AL = AMOUNT IN LIVER COMPARTMENT (UMOLE)'

RAL2 = QL*(CA2-CVL2)-RAM2

AL2 = INTEG(RAL2, .0001)

CVL2 = AL2/(VL*PL2)

CL2 = AL2/VL

'AS = AMOUNT IN SLOWELY PERFUSED TISSUES (UMOLE)'

RAS2 = QS*(CA2-CVS2)

AS2 = INTEG(RAS2,.0001)

CVS2 = AS2/(VS*PS2)

CS2 = AS2/VS

'AR = AMOUNT IN RAPIDLY PERFUSED TISSUES (UMOLE)'

RAR2 = QR*(CA2-CVR2)

AR2 = INTEG(RAR2,.0001)

CVR2 = AR2/(VR*PR2)

CR2 = AR2/VR

'AM = AMOUNT METABOLIZED (UMOLE)'

RAM2 = (VAMX2*CVL2)/KM2*DEN3+CVL2*DEN4)

DEN3 = 1.+CVL1/KMI1

DEN4 = 1.+CVL1/KM12

AM2 = INTEG(RAM2,.0001)

'CV = MIXED VEMOUS BLOOD CONCENTRATION (UMOLE)'

CV2 = (QF*CVF2 + QL*CVL2 + QS*CVS2 + QR*CVR2)/QC

TERMT(T.GT.TSTOP)

END $'END OF DERIVATIVE'

END $'END OF DYNAMIC'

END $'END OF PROGRAM'

Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×

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Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 123
Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 124
Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 125
Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 126
Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 127
Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 128
Suggested Citation:"APPENDIX A: Program: Model for Two Volatile Organics." National Research Council. 1996. Permissible Exposure Levels for Selected Military Fuel Vapors. Washington, DC: The National Academies Press. doi: 10.17226/9133.
×
Page 129
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