| r""" |
| Details about the continum and numerical model equations can be found on: |
| Agnaou, M., Sadeghi, M. A., Tranter, T. G., & Gostick, J. (2020). |
| Modeling transport of charged species in pore networks: solution of the |
| Nernst-Planck equations coupled with fluid flow and charge conservation |
| equations. |
| Computers & Geosciences, 104505. |
| """ |
| import openpnm as op |
| from openpnm.phase import mixtures |
| import numpy as np |
| ws = op.Workspace() |
| proj = ws.new_project() |
|
|
|
|
| |
| np.random.seed(0) |
|
|
| net = op.network.Cubic(shape=[23, 15, 1], spacing=1e-6, project=proj) |
| Ps = (net['pore.back'] * net['pore.right'] |
| + net['pore.back'] * net['pore.left'] |
| + net['pore.front'] * net['pore.right'] |
| + net['pore.front'] * net['pore.left']) |
| Ts = net['throat.surface'] |
| op.topotools.trim(network=net, pores=net.Ps[Ps], throats=net.Ts[Ts]) |
|
|
| np.random.seed(0) |
| op.topotools.reduce_coordination(net, 3) |
|
|
| np.random.seed(0) |
| geo = op.geometry.SpheresAndCylinders(network=net, pores=net.Ps, throats=net.Ts) |
|
|
| sw = mixtures.SalineWater(network=net) |
| |
| Na = sw.components['Na_' + sw.name] |
| Cl = sw.components['Cl_' + sw.name] |
| H2O = sw.components['H2O_' + sw.name] |
|
|
| |
| phys = op.physics.GenericPhysics(network=net, phase=sw, geometry=geo) |
|
|
| flow = op.models.physics.hydraulic_conductance.hagen_poiseuille |
| phys.add_model(propname='throat.hydraulic_conductance', |
| pore_viscosity='pore.viscosity', |
| throat_viscosity='throat.viscosity', |
| model=flow, regen_mode='normal') |
|
|
| current = op.models.physics.ionic_conductance.poisson |
| phys.add_model(propname='throat.ionic_conductance', |
| model=current, regen_mode='normal') |
|
|
| eA_dif = op.models.physics.diffusive_conductance.ordinary_diffusion |
| phys.add_model(propname='throat.diffusive_conductance.' + Na.name, |
| pore_diffusivity='pore.diffusivity.' + Na.name, |
| throat_diffusivity='throat.diffusivity.' + Na.name, |
| model=eA_dif, regen_mode='normal') |
|
|
| eB_dif = op.models.physics.diffusive_conductance.ordinary_diffusion |
| phys.add_model(propname='throat.diffusive_conductance.' + Cl.name, |
| pore_diffusivity='pore.diffusivity.' + Cl.name, |
| throat_diffusivity='throat.diffusivity.' + Cl.name, |
| model=eB_dif, regen_mode='normal') |
|
|
| scheme = 'powerlaw' |
| ad_dif_mig_Na = op.models.physics.ad_dif_mig_conductance.ad_dif_mig |
| phys.add_model(propname='throat.ad_dif_mig_conductance.' + Na.name, |
| pore_pressure='pore.pressure', model=ad_dif_mig_Na, |
| ion=Na.name, s_scheme=scheme) |
|
|
| ad_dif_Na = op.models.physics.ad_dif_conductance.ad_dif |
| phys.add_model(propname='throat.ad_dif_conductance.' + Na.name, |
| throat_diffusive_conductance='throat.diffusive_conductance.' + |
| Na.name, pore_pressure='pore.pressure', model=ad_dif_Na, |
| s_scheme=scheme) |
|
|
| ad_dif_mig_Cl = op.models.physics.ad_dif_mig_conductance.ad_dif_mig |
| phys.add_model(propname='throat.ad_dif_mig_conductance.' + Cl.name, |
| pore_pressure='pore.pressure', model=ad_dif_mig_Cl, |
| ion=Cl.name, s_scheme=scheme) |
|
|
| |
| setts1 = {'solver_family': 'scipy', 'solver_max_iter': 5, 'solver_tol': 1e-08, |
| 'solver_rtol': 1e-08, 'nlin_max_iter': 10, 'cache': False} |
| setts2 = {'g_tol': 1e-4, 'g_max_iter': 100} |
|
|
| |
| sf = op.algorithms.StokesFlow(network=net, phase=sw, settings=setts1) |
| sf.set_value_BC(pores=net.pores('back'), values=6) |
| sf.set_value_BC(pores=net.pores('front'), values=1) |
| sf.run() |
| sw.update(sf.results()) |
|
|
| p = op.algorithms.IonicConduction(network=net, phase=sw, settings=setts1) |
| p.set_value_BC(pores=net.pores('left'), values=0.01) |
| p.set_value_BC(pores=net.pores('right'), values=0.01) |
| p.settings['charge_conservation'] = 'poisson' |
| p.run() |
| sw.update(p.results()) |
|
|
| eA = op.algorithms.NernstPlanck(network=net, phase=sw, ion=Na.name, |
| settings=setts1) |
| eA.set_value_BC(pores=net.pores('back'), values=20) |
| eA.set_value_BC(pores=net.pores('front'), values=10) |
| eA.run() |
| sw['pore.val1'] = eA['pore.concentration.Na_mix_01'] |
|
|
| eB = op.algorithms.NernstPlanck(network=net, phase=sw, ion=Na.name, |
| settings=setts1) |
| eB.set_value_BC(pores=net.pores('back'), values=1) |
| eB.set_value_BC(pores=net.pores('left'), values=0.1) |
| eB.set_value_BC(pores=net.pores('right'), values=0.1) |
| eB.set_outflow_BC(pores=net.pores('front')) |
| eB.run() |
| sw['pore.val2'] = eB['pore.concentration.Na_mix_01'] |
|
|
| eC = op.algorithms.AdvectionDiffusion(network=net, phase=sw, settings=setts1) |
| setts3 = setts1.copy() |
| setts3.update( |
| {'conductance': 'throat.ad_dif_conductance.' + Na.name, |
| 'diffusive_conductance': 'throat.diffusive_conductance.' + Na.name, |
| 'hydraulic_conductance': 'throat.hydraulic_conductance'}) |
| eC.settings._update(setts3) |
| eC.set_value_BC(pores=net.pores('back'), values=1) |
| eC.set_value_BC(pores=net.pores('left'), values=0.1) |
| eC.set_value_BC(pores=net.pores('right'), values=0.1) |
| eC.set_outflow_BC(pores=net.pores('front')) |
| eC.run() |
| sw['pore.val3'] = eC['pore.concentration'] |
|
|
| |
| |
| proj.export_data(phases=[sw], filename='out', filetype='VTK') |
|
|
