# valid Isotherm Types
# AllIsotherms
# BET_Isotherm
# FreundlichIsotherm
# Freundlich-PartitionIsotherm
# LinearIsotherm
# LangmuirIsotherm
# Langmuir-FreundlichIsotherm
# Langmuir-PartitionIsotherm
# PolanyiIsotherm
# Polanyi-PartitionIsotherm
# TothIsotherm
IsothermType TothIsotherm

# can lump the Q0 and b parameters, if desired
LumpedQ0*b yes

# Valid weighting schemes are
# Uniform <weight>
# SorbedRelative  <relative error>
# AqueousRelative <relative error>  <conversion factor>
# IndividualStdDevs
WeightingScheme Uniform 1.00

#
# Lab data provided by Shannon Bartelt-Hunt and
# is for TCE sorption onto GAC
#
BeginLabData
0.00    0.00
15.71   43928.35
32.01   137758.63
48.03   197583.55
68.80   252327.78
97.02   314850.34
161.47  370194.85
217.76  406402.19
508.57  437013.71
EndLabData

MaxGens	         50
PopSize	         50

#
# per EPA, Sw of TCE is 1000 mg/L
#
Solubility       1000

#
# If AllIsotherms is chosen, need to specify individual ranges for each isotherm
# otherwise, just use standard Ranges section
#
BeginRanges
b*Q0 0.00    1.00e06 log10 1.00e-03
b    0.00    1.00    none  1.00e-03
n    0.00    5.00    none  1.00e-03
EndRanges

BeginBET_Ranges
b*Q0 0.00  1.00e+10  none   1.00e-03
b    0.00  100.00    none   1.00e-03
EndBET_Ranges

BeginFreundlichRanges
Kf    0.0  1.00e06   none   0.001
(1/n) 0.0  1.00      none   0.001
EndFreundlichRanges

BeginFreundlich-PartitionRanges
Kf    0.0  1.00e06 none  0.001
(1/n) 0.0  1.00    none  0.001
Kp    0.0  100.00  none  0.001
EndFreundlich-PartitionRanges

BeginLangmuir-FreundlichRanges
Q0    1.00    1.00e06   log10  1.00e-03
b     0.00    1.00      none  1.00e-03
(1/n) 0.00    2.00      none  1.00e-03
EndLangmuir-FreundlichRanges

BeginLangmuirRanges
b*Q0 0.00    1.00e10   log10  1.00e-03
b    0.00    100.00    log10  1.00e-03
EndLangmuirRanges

BeginLangmuir-PartitionRanges
b*Q0 0.00    1.00e10   log10  1.00e-03
b    0.00    100.00    log10  1.00e-03
Kp   0.00    1000.0    log10  1.00e-03
EndLangmuir-PartitionRanges

BeginLinearRanges
Kp    0.0  1.00e06  none  0.001
EndLinearRanges

BeginPolanyiRanges
Q0    1.00    1.00e07   log10  1.00e-03
a     -1.00   0.00      none   1.00e-03
b     0.00    10.00     none   1.00e-03
EndPolanyiRanges

BeginPolanyi-PartitionRanges
Q0    1.00    1.00e07   log10  1.00e-03
a     -1.00   0.00      none   1.00e-03
b     0.00    10.00     none   1.00e-03
Kp    0.00    100.00    none   1.00e-03
EndPolanyi-PartitionRanges

BeginTothRanges
b*Q0 0.00    1.00e06 log10 1.00e-03
b    0.00    1.00    none  1.00e-03
n    0.00    5.00    none  1.00e-03
EndTothRanges

# not necessary, unless you need to debug
# PreserveOutputFiles

