| r""" |
| Details about the continum and numerical model equations can be found on: |
| Sadeghi, M. A., Agnaou, M., Barralet, J., & Gostick, J. (2020). |
| |
| Dispersion modeling in pore networks: A comparison of common pore-scale |
| models and alternative approaches. Journal of Contaminant Hydrology, 228, 103578. |
| |
| """ |
| import openpnm as op |
| import numpy as np |
|
|
|
|
| np.random.seed(0) |
| ws = op.Workspace() |
| proj = ws.new_project() |
|
|
| |
| |
| net = op.network.Cubic(shape=[33, 33, 1], spacing=9e-4, 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]) |
|
|
| |
| geo = op.geometry.SpheresAndCylinders(network=net, pores=net.Ps, throats=net.Ts) |
| |
| mod = op.models.misc.constant |
| geo.add_model(propname='pore.diameter', model=mod, value=1.5e-4) |
| geo.add_model(propname='throat.diameter', model=mod, value=1e-4) |
| geo.regenerate_models() |
|
|
| |
| water = op.phase.Water(network=net) |
|
|
| |
| phys = op.physics.GenericPhysics(network=net, phase=water, 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') |
| |
| dif = op.models.physics.diffusive_conductance.ordinary_diffusion |
| phys.add_model(propname='throat.diffusive_conductance', model=dif, |
| regen_mode='normal') |
| |
| ad_dif = op.models.physics.ad_dif_conductance.ad_dif |
| phys.add_model(propname='throat.ad_dif_conductance', |
| model=ad_dif, regen_mode='normal') |
| |
| linear = op.models.physics.generic_source_term.linear |
| phys['pore.A1'] = -1e-15 |
| phys['pore.A2'] = 0.0 |
| phys.add_model(propname='pore.rxn', model=linear, X='pore.concentration', |
| A1='pore.A1', A2='pore.A2') |
| rxn_pores = np.array([200]) |
| net.set_label('rxn', pores=rxn_pores) |
|
|
| |
| |
| sf = op.algorithms.StokesFlow(network=net, phase=water) |
| sf.set_value_BC(pores=net.pores('back'), values=0.01) |
| sf.set_value_BC(pores=net.pores('front'), values=0.00) |
| sf.run() |
| water.update(sf.results()) |
| |
| ad = op.algorithms.TransientAdvectionDiffusion(network=net, phase=water) |
| ad.set_source(propname='pore.rxn', pores=rxn_pores) |
| ad.set_value_BC(pores=net.pores('back'), values=100) |
| ad.set_value_BC(pores=net.pores('front'), values=90) |
| ad.run(x0=90, tspan=(0, 1000), saveat=200) |
| water.update(ad.results()) |
|
|
| |
| |
| proj.export_data(phases=[water], filename='out', filetype='xdmf') |
|
|
