def __init__(self, tend, dt, tstart=0):
""" init function
initialize the lab class
Arguments:
tend {float} -- end time of computation
dt {float} -- timestep
Keyword Arguments:
tstart {float} -- strart time of computation (default: {0})
"""
self.tend = tend
self.dt = dt
self.time = np.linspace(tstart, tend, round(tend / dt) + 1)
self.species = DotDict({})
self.dynamic_functions = DotDict({})
self.profiles = DotDict({})
self.dcdt = DotDict({})
self.rates = DotDict({})
self.estimated_rates = DotDict({})
self.constants = DotDict({})
self.henry_law_equations = []
self.acid_base_components = []
self.acid_base_system = phcalc.System()
self.ode_method = 'scipy'
def create_acid_base_system(self):
"""creates an object of acid-base system stores it as instance variable
creates variable 'pH' with initial pH=7.
"""
self.add_species(element='pH', init_conc=7)
self.acid_base_system = phcalc.System(
*[c['pH_object'] for c in self.acid_base_components])
def create_acid_base_system(self):
self.add_species(theta=True,
name='pH',
D=0,
init_conc=7,
bc_top_value=7,
bc_top_type='dirichlet',
bc_bot_value=7,
bc_bot_type='dirichlet',
w=False,
int_transport=False)
self.acid_base_system = phcalc.System(
*[c['pH_object'] for c in self.acid_base_components])