Hi all,
I was trying to start simulations on Spyder. I installed core simulators in the following directory (/Users/hoangnguyen/modsim_CADET/cadet/bin).
I used the example presented in Cadet Introduction and typed it as shown below. I constantly get the error: [Errno 2] No such file or directory: ‘/modsim_CADET/cadet/bin’
If I changed the path to Cadet.cadet_path = ‘/Users/hoangnguyen/modsim_CADET/cadet/bin’, it would return [Errno 13] Permission denied: ‘/Users/hoangnguyen/modsim_CADET/cadet/bin’.
I have tried to find a solution on the internet, but no luck. So anyone who has been able to run simulation in Python on macOS, would you please let me know how to fix it?
Thank you so much for your time.
Hoang Nguyen
import numpy as np
import matplotlib.pyplot as plt
from cadet import Cadet
Cadet.cadet_path = ‘/modsim_CADET/cadet/bin’
model = Cadet()
ncomp = 1
model.root.input.model.nunits = 3
INLET
model.root.input.model.unit_000.unit_type = ‘INLET’
model.root.input.model.unit_000.ncomp = ncomp
model.root.input.model.unit_000.inlet_type = ‘PIECEWISE_CUBIC_POLY’
GENERAL RATE MODEL
model.root.input.model.unit_001.unit_type = ‘GENERAL_RATE_MODEL’
model.root.input.model.unit_001.ncomp = ncomp
Geometry
model.root.input.model.unit_001.col_length = 0.1
model.root.input.model.unit_001.croos_section_area = 0.01
model.root.input.model.unit_001.col_porosity = 0.37
model.root.input.model.unit_001.par_porosity = 0.33
model.root.input.model.unit_001.par_radius = 1e-6
Transport
model.root.input.model.unit_001.col_dispersion = 1e-8
model.root.input.model.unit_001.film_diffusion = [1e-5,]
model.root.input.model.unit_001.par_diffusion = [1e-10,]
model.root.input.model.unit_001.par_surfdiffusion = [0.0,]
Adsorption model
model.root.input.model.unit_001.adsorption_model = ‘MULTI_COMPONENT_LANGMUIR’
model.root.input.model.unit_001.adsorption.is_kinetic = True
model.root.input.model.unit_001.adsorption.mcl_ka = [1.0,]
model.root.input.model.unit_001.adsorption.mcl_kd = [1.0,]
model.root.input.model.unit_001.adsorption.mcl_qmax = [100.0,]
Initial conditions
model.root.input.model.unit_001.init_c = [0.0,]
model.root.input.model.unit_001.init_q = [0.0,]
Discretization
Grid cells
model.root.input.model.unit_001.discretization.ncol = 20
model.root.input.model.unit_001.discretization.npar = 5
Bound states
model.root.input.model.unit_001.discretization.nbound = [1]
Other options
model.root.input.model.unit_001.discretization.par_disc_type = ‘EQUIDISTANT_PAR’
model.root.input.model.unit_001.discretization.use_analytic_jacobian = 1
model.root.input.model.unit_001.discretization.reconstruction = ‘WENO’
model.root.input.model.unit_001.discretization.gs_type = 1
model.root.input.model.unit_001.discretization.max_krylov = 0
model.root.input.model.unit_001.discretization.max_restarts = 10
model.root.input.model.unit_001.discretization.schur_safety = 1.0e-8
model.root.input.model.unit_001.discretization.weno.boundary_model = 0
model.root.input.model.unit_001.discretization.weno.weno_eps = 1e-10
model.root.input.model.unit_001.discretization.weno.weno_order = 3
OUTLET
model.root.input.model.unit_002.unit_type = ‘OUTLET’
model.root.input.model.unit_002.ncomp = ncomp
Time sections
model.root.input.solver.sections.nsec = 1
model.root.input.solver.sections.section_times = [0.0, 1200,] # s
model.root.input.solver.sections.section_continuity = []
model.root.input.model.unit_000.sec_000.const_coeff = [1.0e-3,] # mol / m^3
model.root.input.model.unit_000.sec_000.lin_coeff = [0.0,]
model.root.input.model.unit_000.sec_000.quad_coeff = [0.0,]
model.root.input.model.unit_000.sec_000.cube_coeff = [0.0,]
Connectivity
model.root.input.model.connections.nswitches = 1
model.root.input.model.connections.switch_000.section = 0
model.root.input.model.connections.switch_000.connections = [
0, 1, -1, -1, 60/1e6,
1, 2, -1, -1, 60/1e6]
SIMULATOR
model.root.input.model.solver.gs_type = 1
model.root.input.model.solver.max_krylov = 0
model.root.input.model.solver.max_restarts = 10
model.root.input.model.solver.schur_safety = 1e-8
Number of cores for parallel simulation
model.root.input.solver.nthreads = 2
Tolerances for the time integrator
model.root.input.solver.time_integrator.abstol = 1e-6
model.root.input.solver.time_integrator.algtol = 1e-10
model.root.input.solver.time_integrator.reltol = 1e-6
model.root.input.solver.time_integrator.init_step_size = 1e-6
model.root.input.solver.time_integrator.max_steps = 1000000
Return data
model.root.input[‘return’].split_components_data = 0
model.root.input[‘return’].split_ports_data = 0
model.root.input[‘return’].unit_000.write_solution_bulk = 1
model.root.input[‘return’].unit_000.write_solution_inlet = 1
model.root.input[‘return’].unit_000.write_solution_outlet = 1
Copy settings to the other unit operations
model.root.input[‘return’].unit_001 = model.root.input[‘return’].unit_000
model.root.input[‘return’].unit_002 = model.root.input[‘return’].unit_000
Solution times
model.root.input.solver.user_solution_times = np.linspace(0, 1200, 1001)
model.filename = ‘practice_introduction.h5’
model.save()
data = model.run()
if data.returncode == 0:
print(“Simulation completed successfully”)
model.load()
else:
print(data)
raise Exception(“Simulation failed”)
Plotting the results
plt.figure()
time = model.root.output.solution.solution_times
c = model.root.output.solution.unit_001.solution_outlet
plt.plot(time/60, c)
plt.xlabel(’time~/~min’)
plt.ylabel(’Outlet~concentration~/~mol \cdot m^{-3} ’)
plt.show()
