def make_one_timestep(t, dt, cTold, c1old):
ts_manager = FixedTimeStep(dt)
# ts_manager = TimeStepManager(initial_timestep=720,)
newton = ComPASS.newton.Newton(simulation, 1e-5, 20,
ComPASS.newton.LinearSolver(
1e-6,
150)) # simulation.default_Newton() #
context = SimulationContext()
# do cT first (linear)
set_concentrations(cTold)
set_injection("cT")
clear_source_term()
timestep.make_one_timestep(newton,
ts_manager.steps(),
simulation_context=context)
cTnew = retrieve_concentrations()
print("---------- cT --> c1 ------------------")
# Next do c1, solve non-linear system with Newton Krylov
def freac(c1, cT):
return Keq * rhos * cTbar * (c1 / (cT + (Keq - 1) * c1))
fc1old = freac(c1old, cTold)
def fchim(cprev):
set_concentrations(c1old)
set_injection("c1")
set_source_term((freac(cprev, cTnew) - fc1old) / dt)
timestep.make_one_timestep(newton,
ts_manager.steps(),
simulation_context=context)
return retrieve_concentrations()
cinit = c1old
c1new = newton_krylov(lambda c: c - fchim(c),
cinit,
method="lgmres",
verbose=1)
return cTnew, c1new
def transport_concentrations(self, t, ts_manager, Cold, srcF):
Nc = Cold.shape[0]
Cnew = np.zeros_like(Cold)
compute_all_concentrations = True
newton = Newton(
self.simulation, 1e-5, 30, LinearSolver(1e-6, 150)
) # self.simulation.default_Newton()
context = SimulationContext()
# self.plot_pressure()
# while loop to find suitable dt (other strategies are possible...)
while compute_all_concentrations:
for i in range(Nc):
print("espece ========> ", i)
# print ("ts_manager.current_step ========> ", ts_manager.current_step)
self.set_source_term(srcF[i, :] / ts_manager.current_step)
self.set_concentrations(Cold[i, :])
self.set_states_inj(
self.simulation.dirichlet_node_states(),
self.simulation.vertices()[:, 0],
self.simulation.vertices()[:, 1],
i,
)
deltat = timestep.make_one_timestep(
newton, ts_manager.steps(), simulation_context=context
)
Cnew[i, :] = self.retrieve_concentrations()
else:
compute_all_concentrations = (
False # job is done all concentrations have been computed with dt
)
# self.plot_1D_concentrations(t, Cnew)
return Cnew
def set_variable_initial_bc_values():
set_states(simulation.node_states(), Topz - simulation.vertices()[:, 2])
set_states(simulation.cell_states(), Topz - simulation.compute_cell_centers()[:, 2])
set_FreeFlow_state(simulation.node_states())
set_Dirichlet_state(simulation.dirichlet_node_states())
master_print("set initial and BC")
set_variable_initial_bc_values()
# set linear solver properties
newton = Newton(simulation, 1e-7, 15, LinearSolver(1e-6, 50))
context = SimulationContext()
context.abort_on_ksp_failure = False
context.dump_system_on_ksp_failure = False
context.abort_on_newton_failure = False
timestep = TimeStepManager(
initial_timestep=100.0,
minimum_timestep=1e-3,
maximum_timestep=10.0 * year,
increase_factor=1.2,
decrease_factor=0.2,
)
final_time = 100.0 * year
output_period = 0.1 * final_time