'ca_mlvl': {
'type': 'eq',
'value': 'calcite'
},
'ca_liq': {
'type': 'eq',
'value': 'calcite'
}
}
phrqc = fn.set_phrqc_input(phrqc_input, ptype=m)
fn.save_phrqc_input(phrqc, root_dir, nn)
#%%
scale = 10 # scale of molar volume
init_porosCH = 0.05 #initial porosity of portlandite nodes
mvol = fn.set_mvols({}, scale, ptype=m) #m3/mol
max_pqty = fn.get_max_pqty(mvol) #mol/m3
init_conc = fn.set_init_pqty(mvol, scale, 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': 'smart', # 'all'/'smart'/
fn.make_output_dir(path)
phrqc_input = {'c_bc':{'type':'pco2', 'value': 3.4}, #3.05E-02, 3.74E-02, 4.30E-02
'c_mlvl':{'type':'conc', 'value': '0'},
'c_liq':{'type':'conc', 'value': '0'},
'ca_mlvl':{'type':'eq', 'value': 'portlandite'},
'ca_liq':{'type':'conc', 'value': '0'}}#calcite
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':'subgrid', #'multilevel'/'subgrid'
'active_nodes': 'all', # 'all'/'smart'/
'diffusivity':{'border': D, ##diffusivity at border
