import openpnm as op from openpnm.models.physics import source_terms from openpnm.models import collections import matplotlib.pyplot as plt op.visualization.set_mpl_style() ws = op.Workspace() ws.settings["default_solver"] = "ScipySpsolve" ws.clear() pn = op.network.Cubic(shape=[25, 25, 1], spacing=1e-4) # Create domain Ps = pn.coords[:, 0] < 13e-4 Ts = pn.find_neighbor_throats(pores=Ps, asmask=True) pn["pore.domain1"] = Ps pn["throat.domain1"] = Ts # Create domain2 Ps = pn.coords[:, 0] >= 13e-4 Ts = pn.find_neighbor_throats(pores=Ps, mode="xnor", asmask=True) pn["pore.domain2"] = Ps pn["throat.domain2"] = Ts # Add network/geometry models to both domains pn.add_model_collection(collections.geometry.cones_and_cylinders, domain="domain1") pn.add_model_collection(collections.geometry.pyramids_and_cuboids, domain="domain2") # FIXME: Must regenerate network models, otherwise, phase models will complain pn.regenerate_models() # Create phase and add phase/physics models air = op.phase.Air(network=pn, name="air") air.add_model_collection(collections.physics.standard) air.regenerate_models() # Add a nonlinear reaction air["pore.reaction_sites"] = False air["pore.reaction_sites"][[310, 212, 113]] = True air.add_model( propname="pore.reaction1", model=source_terms.power_law, X="pore.concentration", A1=-1, A2=2, A3=0, domain="reaction_sites", regen_mode="deferred", ) air.add_model( propname="pore.reaction2", model=source_terms.power_law, X="pore.concentration", A1=-1, A2=2, A3=0, domain="reaction_sites", regen_mode="deferred", ) # Run Fickian diffusion with reaction rxn = op.algorithms.FickianDiffusion(network=pn, phase=air) rxn.set_value_BC(pores=pn.pores("left"), values=1) rxn.set_source(pores=air.pores("reaction_sites"), propname="pore.reaction1") rxn.run() # Run Fickian diffusion with reaction rxn2 = op.algorithms.FickianDiffusion(network=pn, phase=air) rxn2.set_value_BC(pores=pn.pores("left"), values=1) rxn2.set_source(pores=air.pores("reaction_sites"), propname="pore.reaction2") rxn2.run() # Plot concentration profile fig, ax = plt.subplots() ax = op.visualization.plot_coordinates( network=pn, ax=ax, color_by=rxn2['pore.concentration'], size_by=pn['pore.diameter'], s=75, ec='k', linewidth=0.5, ) ax = op.visualization.plot_connections( network=pn, ax=ax, zorder=0, color_by=pn['throat.diameter'], linewidth=1.5, alpha=0.5, ) ax.axis(False) fig.colorbar(ax.collections[0], label='pore.concentration') fig.colorbar(ax.collections[1], label='throat.diameter')