def test_run(self):
"""
Test initialization and few iterations
"""
#%%
m = 'CH' #or 'CSH'
ll = 1 #liquid lauer in front of portlandite
l_ch = 25 #length of portlandite
lx = (l_ch + ll) * 1.0e-6
ly = 2.0e-6
dx = 1.0e-6
domain = yantra.Domain2D(corner=(0, 0),
lengths=(lx, ly),
dx=dx,
grid_type='nodal')
domain.nodetype[:, ll + 1:ll + l_ch] = ct.Type.MULTILEVEL
domain.nodetype[0, :] = ct.Type.SOLID
domain.nodetype[-1, :] = ct.Type.SOLID
domain.nodetype[:, -1] = ct.Type.SOLID
#%%
nn = '09_unit_test'
phrqc_input = {
'c_bc': {
'type': 'conc',
'value': 0.01
}, # another option 'c_bc':{'type':'pco2', 'value': 3.4}
'c_mlvl': {
'type': 'conc',
'value': '0'
}, # another option c_mlvl':{'type':'conc', 'value': '0'}
'c_liq': {
'type': 'conc',
'value': '0'
}, # another option c_liq':{'type':'conc', 'value': '0'}
'ca_mlvl': {
'type': 'eq',
'value': 'portlandite'
},
'ca_liq': {
'type': 'eq',
'value': 'portlandite'
}
} # another option ca_liq':{'type':'conc', 'value': '0'} or ca_liq':{'type':'eq', 'value': 'portlandite'}
phrqc = fn.set_phrqc_input(phrqc_input)
fn.save_phrqc_input(phrqc, root_dir, nn)
scale = 50 # scale of molar volume
init_porosCH = 0.05 #initial porosity of portlandite nodes
mvol_ratio = 3.69 / 3.31
mvolCH = 0.0331 * scale
mvol = [mvolCH, mvolCH * mvol_ratio]
mvol = fn.set_mvols(mvol, ptype=m) #m3/mol
#max_pqty = fn.get_max_pqty(mvol) #mol/m3
init_conc = fn.set_init_pqty(mvol, init_porosCH)
pqty = fn.get_pqty(init_conc, domain)
slabels = fn.set_labels(domain, m)
D = 1.0e-09 # default diffusion coefficient in pure liquid
porosity = fn.get_porosity(domain, pqty, mvol, m)
app_tort_degree = 1. / 3.
app_tort = 1. * porosity**app_tort_degree
settings = {
'precipitation': 'interface', # 'interface'/'all'/'mineral' nodes
'dissolution': 'multilevel', #'multilevel'/'subgrid'
'active_nodes': 'all', # 'all'/'smart'/'interface'
'diffusivity': {
'type': 'fixed', #'archie'/'fixed'/'mixed'
'D_border': D, #diffusivity at border
'D_CC': 1e-11, # fixed diffusivity in calcite node
'D_CH': 1e-13, # fixed diffusivity in portlandite node
},
'pcs_mode': {
'pcs': True, #Pore-Size Controlled Solubility concept
'pores': 'block', #'block'/'cylinder'
'int_energy': 0.5, # internal energy
'pore_size': 0.01 * dx, # threshold radius or distance/2
'crystal_size': 0.5 * dx, # crystal or pore length
'pore_density':
2000, #pore density per um3 - only for cylinder type
},
'subgrid': {
'fraction': None
}, # fraction of interface cell number or None = porosity
'app_tort': {
'degree': app_tort_degree
},
'velocity': False,
'bc': phrqc_input['c_bc'],
'dx': dx,
'Dref': D
}
domain_params = fn.set_domain_params(D, mvol, pqty, porosity, app_tort, slabels,
input_file = root_dir + \
'\\phreeqc_input\\' + nn + '.phrq')#'CH_CC-nat.phrq'
bc_params = fn.set_bc_params(bc_slabels={'left': 100001})
solver_params = fn.set_solver_params(
tfact=None, smart_thres=1e-8
) # optional values, for time step (if tfact => tfactbased tau)
#%%
carb_rt = rt.CarbonationRT('MultilevelAdvectionDiffusion', domain,
domain_params, bc_params, solver_params,
settings)
itr = 0
nitr = 10
while itr < nitr:
carb_rt.advance()
itr += 1
#%%
self.assertEqual(carb_rt.iters, nitr)
def test_init_pqty(self):
self.assertEqual(fn.set_init_pqty([1]), [0.9, 0.0])
self.assertEqual(fn.set_init_pqty([1, 2], porosCH=0.2), [0.8, 0.0])
