components['AH'] = 0.395555
components['B'] = 0.0351202
components['C'] = 0.0
components['BH+'] = 0.0
components['A-'] = 0.0
components['AC-'] = 0.0
components['P'] = 0.0
builder.add_mixture_component(components)
# add algebraics
algebraics = ['0', '1', '2', '3', '4', '5', 'k4T',
'Temp'] # the indices of the rate rxns
# note the fifth, sixth and seventh components. Which basically work as inputs
builder.add_algebraic_variable(algebraics)
#Load Temp data:
dataDirectory = os.path.abspath(
os.path.join(
os.path.dirname(
os.path.abspath(inspect.getfile(inspect.currentframe()))),
'data_sets'))
Ttraj = os.path.join(dataDirectory, 'Tempvalues.csv')
fixed_Ttraj = read_absorption_data_from_csv(Ttraj)
params = dict()
params['k0'] = 49.7796
params['k1'] = 8.93156
params['k2'] = 1.31765
params['k3'] = 0.310870
from kipet.library.CasadiSimulator import *
import matplotlib.pyplot as plt
import sys
if __name__ == "__main__":
with_plots = True
if len(sys.argv) == 2:
if int(sys.argv[1]):
with_plots = False
# create template model
builder = TemplateBuilder()
builder.add_mixture_component('A', 1)
builder.add_mixture_component('B', 0)
builder.add_algebraic_variable('ra')
builder.add_parameter('k', 0.01)
# define explicit system of ODEs
def rule_odes(m, t):
exprs = dict()
exprs['A'] = -m.Y[t, 'ra']
exprs['B'] = m.Y[t, 'ra']
return exprs
builder.set_odes_rule(rule_odes)
def rule_algebraics(m, t):
algebraics = list()
algebraics.append(m.Y[t, 'ra'] - m.P['k'] * m.Z[t, 'A'])
return algebraics
